SCHEMBL10350460

SCHEMBL10350460

CCCCCOc1ccc(-c2ncc(-c3ccc(CCCCC)cc3)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ MAPT P10636 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ USP2 O75604 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ NPC1 O15118 4/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CYP3A4 P08684 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ SLCO1B3 Q9NPD5 1/20 0.51
▸ SLCO1B1 Q9Y6L6 1/20 0.51
▸ RARB P10826 5/20 0.50

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
SCHEMBL6885139 1.00 RAB9A (0.61) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL9435049 0.99 RAB9A (0.63) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL9435212 0.99 RAB9A (0.63) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL10349469 0.99 RAB9A (0.63) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL9435139 0.99 RAB9A (0.63) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL9435151 0.99 RAB9A (0.63) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL10000257 0.99 RAB9A (0.63) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL9330924 0.99 RAB9A (0.63) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL9435108 0.99 RAB9A (0.63) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL8748800 0.96 RAB9A (0.57) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207975-B1 LIQUID CRYSTALLINE PHASES MERCK PATENT GmbH (DE) 1990-05-16 — — EP disclosed
US-4818428-A MIXTURE OF POLAR AND APOLAR COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-04 — — US disclosed
EP-0207975-A1 LIQUID CRYSTALLINE PHASES. MERCK PATENT GMBH (DE) 1987-01-14 — — EP disclosed
WO-1986004081-A1 LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-07-17 — — WO disclosed
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