SCHEMBL7752727

SCHEMBL7752727

CCCCCCCc1ccc(-c2ccc(O)cc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 1.00
▸ SMN1; SMN2 Q16637 10/20 1.00
▸ NPC1 O15118 8/20 1.00
▸ MAPT P10636 4/20 1.00
▸ STAT3 P40763 1/20 1.00
▸ ATM Q13315 1/20 1.00
▸ NFKB1 P19838 4/20 0.68
▸ NFKB2 Q00653 4/20 0.68
▸ RELA Q04206 4/20 0.68
▸ L3MBTL1 Q9Y468 2/20 0.68
▸ CASP3 P42574 2/20 0.68
▸ SENP8 Q96LD8 2/20 0.68
▸ SENP7 Q9BQF6 2/20 0.68
▸ SENP6 Q9GZR1 2/20 0.68
▸ MAPK1 P28482 2/20 0.64
▸ KDM4E B2RXH2 5/20 0.62
▸ ALDH1A1 P00352 5/20 0.62
▸ TP53 P04637 3/20 0.62
▸ ESR1 P03372 2/20 0.62
▸ ADRA2A P08913 2/20 0.62

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
SCHEMBL6283948 1.00 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9180479 1.00 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10685934 1.00 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8025073 1.00 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9326045 0.98 RAB9A (0.97) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9326013 0.98 RAB9A (0.97) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10459672 0.98 RAB9A (0.97) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL7789917 0.97 RAB9A (0.94) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL21816567 0.94 RAB9A (0.88) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9329063 0.92 RAB9A (0.86) RAB9ASMN1; SMN2NPC1MAPTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821049-B1 Cyclopentyl compounds ROLIC AG (CH) 2001-01-10 — — EP disclosed
CN-1184103-A Cyclopentyl derivatives ROLIC AG (CH) 1998-06-10 — — CN disclosed
US-5759443-A Cyclopentyl derivatives ROLIC AG (CH) 1998-06-02 — — US disclosed
EP-0821049-A1 Cyclopentyl compounds Rolic AG (CH) 1998-01-28 — — EP disclosed
EP-0277815-B1 Optically active-2-alkoxy-propyl ether and liquid crystal composition CHISSO CORP (JP) 1993-11-24 — — EP disclosed
US-5164111-A Polymerizable liquid-crystal material and polymers exhibiting liquid-crystal phases MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-11-17 — — US disclosed
EP-0228303-B1 FERROELECTRIC PYRIDINE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Chisso Corporation (JP) 1992-06-03 — — EP disclosed
EP-0238576-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS MERCK PATENT GmbH (DE) 1992-05-06 — — EP disclosed
EP-0239403-B1 2-(4'-ALKOXYPHENYL)-5-ALKYLPYRIDINES Chisso Corporation (JP) 1992-01-08 — — EP disclosed
US-5021191-A Ferroelectricity display elements; extremely small redution in crystal temperature region CHISSO CORPORATION (JP) 1991-06-04 — — US disclosed
EP-0370081-A1 CHIRAL OR ACHIRAL CYCLIC COMPOUNDS MERCK PATENT GmbH (DE) 1990-05-30 — — EP disclosed
WO-1989009764-A1 CHIRAL OR ACHIRAL CYCLIC COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-10-19 — — WO disclosed
US-4795587-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1989-01-03 — — US disclosed
US-4784792-A OPTICAL DISPLAYS, LIGHT SWITCHES CHISSO CORPORATION (JP) 1988-11-15 — — US disclosed
US-4752413-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1988-06-21 — — US disclosed
EP-0247804-A2 2-(Alkyloxycarbonyloxyphenyl)-5-alkylpyridine and composition containing same Chisso Corporation (JP) 1987-12-02 — — EP disclosed
EP-0239403-A1 2-(4'-Alkoxyphenyl)-5-alkylpyridines Chisso Corporation (JP) 1987-09-30 — — EP disclosed
EP-0238576-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS. MERCK PATENT GMBH (DE) 1987-09-30 — — EP disclosed
EP-0228303-A1 Ferroelectric pyridine compounds and liquid crystal compositions containing them Chisso Corporation (JP) 1987-07-08 — — EP disclosed
WO-1987001701-A2 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-03-26 — — WO disclosed
Send feedback