SCHEMBL316710

SCHEMBL316710

Nc1ccc(C(=O)OCCOCCOCCOC(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ CYP3A4 P08684 4/20 0.66
▸ LMNA P02545 3/20 0.66
▸ CYP1A2 P05177 3/20 0.66
▸ TSHR P16473 3/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ PDE4D Q08499 1/20 0.66
▸ PHLPP2 Q6ZVD8 1/20 0.64
▸ MAOA P21397 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ CYP2D6 P10635 2/20 0.60
▸ HTR3A P46098 1/20 0.60
▸ HRH3 Q9Y5N1 1/20 0.60
▸ BLM P54132 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ SCN1A P35498 2/20 0.57
▸ SCN2A Q99250 2/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1807523 1.00 NPC1 (0.67) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL9420518 1.00 NPC1 (0.67) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL291777 0.94 NPC1 (0.73) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL7892734 0.93 NPC1 (0.59) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL11228191 0.91 CYP3A4 (0.61) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL11225762 0.91 CYP3A4 (0.61) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL11412546 0.91 CYP3A4 (0.61) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL4799894 0.91 CYP3A4 (0.61) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL14097392 0.90 NPC1 (0.56) NPC1RAB9ACYP3A4LMNACYP1A2
SCHEMBL16573654 0.90 NPC1 (0.56) NPC1RAB9ACYP3A4LMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384134-B1 POLYMER GEL COMPOSITION COMPRISING MALEATED POLYALKYLENE GRATED VIA GRAFTING AGENT TO POLY(ALKENYL-CO-MALEIMIDE), EPOXY POLYMER, AND OPTIONALLY, EXTENDER; VIBRATION DAMPING MATERIAL BRIDGESTONE CORPORATION (JP) 2002-05-07 — — US claimed
EP-0579989-B1 Polyurethaneurea elastomer IHARA CHEMICAL IND CO (JP) 1997-09-03 — — EP claimed
US-5410009-A Impact resilience; flexural properties IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-25 — — US claimed
EP-0579989-A1 Polyurethaneurea elastomer IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1994-01-26 — — EP claimed
JP-54080397-A — — None — — JP disclosed
US-9939337-B2 Deformation detection sensor and production of the same TOYO TIRE & RUBBER CO., LTD. (JP) 2018-04-10 — — US disclosed
US-20180073940-A1 DEFORMATION DETECTION SENSOR AND PRODUCTION OF THE SAME TOYO TIRE & RUBBER CO., LTD. (JP) 2018-03-15 — — US disclosed
US-20180035813-A1 DEFORMATION DETECTION SENSOR AND PRODUCTION OF THE SAME TOYO TIRE & RUBBER CO., LTD. (JP) 2018-02-08 — — US disclosed
US-20170122719-A1 SYSTEM FOR DETECTING DEFORMATION OF CUSHION PAD AND PRODUCTION THEREOF TOYO TIRE & RUBBER CO., LTD. (JP) 2017-05-04 — — US disclosed
US-20170043679-A1 SYSTEM FOR DETECTING DEFORMATION OF CUSHION PAD AND PRODUCTION THEREOF TOYO TIRE & RUBBER CO., LTD. (JP) 2017-02-16 — — US disclosed
EP-3085572-A1 DEFORMATION DETECTION SENSOR AND PRODUCTION OF THE SAME Toyo Tire & Rubber Co. Ltd. (JP) 2016-10-26 — — EP disclosed
US-20160305831-A1 DEFORMATION DETECTION SENSOR AND PRODUCTION OF THE SAME TOYO TIRE & RUBBER CO., LTD. (JP) 2016-10-20 — — US disclosed
EP-0328585-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC. (US) 1989-08-23 — — EP disclosed
US-4829099-A SURGERY, POLYISOCYANATES, POLYISOTHIOCYANATES BIORESEARCH, INC. (US) 1989-05-09 — — US disclosed
WO-1989000589-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH, INC. (US) 1989-01-26 — — WO disclosed
EP-0279376-A2 Process for producing polyurea resin IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1988-08-24 — — EP disclosed
US-4677157-A POLYURETHANE WITH CRYSTALLINE POLYMER PHASE DISTRIBUTED IN AMORPHOUS PHASE POLYMER 3M INNOVATIVE PROPERTIES COMPANY 1987-06-30 — — US disclosed
US-4327204-A Process for producing polyurethane elastomer by mixing a hardener composition with an isocyanate composition IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1982-04-27 — — US disclosed
US-4246392-A Method for the preparation of polyurethane elastomers based on polyethyleneglycol-bis(4-aminobenzoates) IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-01-20 — — US disclosed
JP-S5480397-A PRODUCTION OF POLYURETHANE ELASTOMER IHARA CHEM IND CO LTD 1979-06-27 — — JP disclosed
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