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Sugi Predict / Compounds / SCHEMBL9875787

SCHEMBL9875787

SCHEMBL9875787

CCCCCOc1ccc(C2CCC(c3ccc(F)nc3F)CC2)cc1.CCCCCc1ccc(C2CCC(c3ccc(F)nc3F)CC2)cc1.CCCCOc1ccc(C2CCC(c3ccc(F)nc3F)CC2)cc1.CCCCc1ccc(C2CCC(c3ccc(F)nc3F)CC2)cc1.CCCOc1ccc(C2CCC(c3ccc(F)nc3F)CC2)cc1.CCCc1ccc(C2CCC(c3ccc(F)nc3F)CC2)cc1.CCOc1ccc(C2CCC(c3ccc(F)nc3F)CC2)cc1.CCc1ccc(C2CCC(c3ccc(F)nc3F)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.39
▸ SPHK2 Q9NRA0 7/20 0.36
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLCO1B3 Q9NPD5 1/20 0.34
▸ SLCO1B1 Q9Y6L6 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL9875798 1.00 SPHK1 (0.39) SPHK1SPHK2MAPTRAB9AL3MBTL1
SCHEMBL9159001 0.84 RAB9A (0.44) RAB9ALMNACYP3A4
SCHEMBL9159011 0.84 RAB9A (0.44) RAB9ALMNACYP3A4
SCHEMBL9154828 0.83 RAB9A (0.43) SPHK1RAB9ALMNA
SCHEMBL9154818 0.83 RAB9A (0.43) SPHK1RAB9ALMNA
SCHEMBL9874466 0.83 SPHK1 (0.38) SPHK1SPHK2MAPTRAB9AL3MBTL1
SCHEMBL9874452 0.83 SPHK1 (0.38) SPHK1SPHK2MAPTRAB9AL3MBTL1
SCHEMBL9160898 0.82 RAB9A (0.45) RAB9ALMNACYP3A4
SCHEMBL9160913 0.82 SPHK1 (0.56) SPHK1SPHK2
SCHEMBL9160906 0.82 RAB9A (0.45) RAB9ALMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 — — WO disclosed