SCHEMBL8773173

SCHEMBL8773173

CCCCCCCCCCOc1cnc(-c2ccc(CCCCc3ccccc3)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.62
▸ MAPT P10636 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ USP2 O75604 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ NAAA Q02083 1/20 0.56
▸ RARB P10826 6/20 0.54
▸ NPC1 O15118 3/20 0.50
▸ HSD11B1 P28845 1/20 0.48
▸ RARA P10276 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL8773140 1.00 RAB9A (0.62) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8773112 1.00 RAB9A (0.62) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8773241 1.00 RAB9A (0.62) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8773136 0.96 RAB9A (0.57) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9636209 0.94 RAB9A (0.68) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9637152 0.94 RAB9A (0.68) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL10471336 0.94 RAB9A (0.68) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL10477403 0.94 RAB9A (0.68) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9637413 0.94 RAB9A (0.68) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9636372 0.94 RAB9A (0.68) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606090-B1 Mesomorphic compound, liquid crystal composition containing same, and liquid crystal device using same CANON KK (JP) 1997-10-29 — — EP disclosed
US-5589103-A Mesomorphic compound, liquid crystal composition containing same, and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1996-12-31 — — US disclosed
EP-0606090-A1 Mesomorphic compound, liquid crystal composition containing same, and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1994-07-13 — — EP disclosed
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