SCHEMBL8935462

SCHEMBL8935462

OC(O)CCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 2/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
S1PR2 O95136 1/20 0.49
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
IGF1R P08069 1/20 0.48
ALOX15 P16050 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL9782402 0.98 TRPA1 (0.57) TRPA1MAOAMAOBMAPTRXFP1
SCHEMBL10928526 0.98 TRPA1 (0.57) TRPA1MAOAMAOBMAPTRXFP1
SCHEMBL6471773 0.98 TRPA1 (0.57) TRPA1MAOAMAOBMAPTRXFP1
SCHEMBL4775723 0.98 TRPA1 (0.57) TRPA1MAOAMAOBMAPTRXFP1
SCHEMBL8849468 0.93 HDAC3 (0.50) TRPA1MAOAMAOBMAPTRXFP1
SCHEMBL598212 0.85 TDP1 (0.55) ALOX15SLC6A3SMN1; SMN2
SCHEMBL19682101 0.84 TRPA1 (0.67) TRPA1MAOAMAOBMAPTRXFP1
Methane SCHEMBL27710187 0.83 TDP1 (0.52) ALOX15SLC6A3SMN1; SMN2
SCHEMBL560219 0.83 TRPA1 (0.51) TRPA1MAOASIGMAR1L3MBTL1
SCHEMBL10694052 0.83 TRPA1 (0.56) TRPA1MAOAMAOBMAPTRXFP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262552-A Optically active compounds and intermediates thereof, and process for manufacturing same ASAHI DENKA KOGYO K.K. (JP) 1993-11-16 US claimed
US-20240376256-A1 ORGANIC BINDER, COMPOSITION FOR PRODUCING INORGANIC MATERIAL MOLDED ARTICLE, GREEN BODY, DEGREASED BODY, INORGANIC MATERIAL MOLDED ARTICLE, AND METHOD OF PRODUCING INORGANIC MATERIAL MOLDED ARTICLE KUREHA CORPORATION (JP) 2024-11-14 US disclosed
CN-115197051-B Compound and preparation method and application thereof 中国药科大学 2023-11-03 CN disclosed
WO-2023286509-A1 ORGANIC BINDER, COMPOSITION FOR PRODUCING INORGANIC MATERIAL MOLDED ARTICLE, GREEN BODY, DELIPIDATION BODY, INORGANIC MATERIAL MOLDED ARTICLE, AND INORGANIC MATERIAL MOLDED ARTICLE PRODUCTION METHOD 株式会社クレハ 2023-01-19 WO disclosed
CN-115197051-A Compound and preparation method and application thereof 中国药科大学 2022-10-18 CN disclosed
US-10023752-B2 Conductive material and substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-07-17 US disclosed
US-20170130070-A1 CONDUCTIVE MATERIAL AND SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-11 US disclosed
US-5504219-A Optically active compounds and intermediates thereof, and process for manufacturing same ASAHI DENKA KOGYO K.K. (JP) 1996-04-02 US disclosed
US-5352845-A Process for manufacture of optically active saturated compounds ASAHI DENKA KOGYO K.K. (JP) 1994-10-04 US disclosed
US-5262552-A Optically active compounds and intermediates thereof, and process for manufacturing same ASAHI DENKA KOGYO K.K. (JP) 1993-11-16 US disclosed
EP-0160258-B1 (6,11-DIHYDRO-11-OXODIBENZ(BM,E)OXEPINYL)PENTANOLS, A PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-09-27 EP disclosed