SCHEMBL9435151

SCHEMBL9435151

CCCCCCCCOc1ccc(-c2cnc(-c3ccc(CCCCCCCC)cc3)nc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.63
▸ MAPT P10636 4/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ USP2 O75604 2/20 0.63
▸ GAA P10253 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ NPC1 O15118 3/20 0.58
▸ CYP3A4 P08684 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ SLCO1B3 Q9NPD5 1/20 0.53
▸ SLCO1B1 Q9Y6L6 1/20 0.53
▸ RARB P10826 8/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL9330924 1.00 RAB9A (0.63) RAB9AMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL9435212 1.00 RAB9A (0.63) RAB9AMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL10000257 1.00 RAB9A (0.63) RAB9AMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL9435139 1.00 RAB9A (0.63) RAB9AMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL9435108 1.00 RAB9A (0.63) RAB9AMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL9435049 1.00 RAB9A (0.63) RAB9AMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL10349469 1.00 RAB9A (0.63) RAB9AMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL10350460 0.99 RAB9A (0.61) RAB9AMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL6885139 0.99 RAB9A (0.61) RAB9AMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL8748800 0.95 RAB9A (0.57) RAB9AMAPTSMN1; SMN2HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5279762-A High speed switching MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 — — US disclosed
EP-0220296-B1 SMECTIC LIQUID CRYSTALLINE PHASES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 — — EP disclosed
US-5064566-A Chirally tilted, pyrimidines, pyridines, or pyrazines, stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-12 — — US disclosed
EP-0220296-A1 SMECTIC LIQUID CRYSTALLINE PHASES. MERCK PATENT GMBH (DE) 1987-05-06 — — EP disclosed
WO-1986006401-A1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 — — WO disclosed
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