SCHEMBL8405832

SCHEMBL8405832

CCCCCCCC[C@H](F)COc1ccc(-c2nc(Cl)c(CC[C@@H](F)CCCCCC)c(Cl)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RARB P10826 3/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ PLA2G4B P0C869 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ S1PR1 P21453 3/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ S1PR4 O95977 2/20 0.32
▸ S1PR5 Q9H228 2/20 0.32

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
SCHEMBL8405834 1.00 RAB9A (0.40) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8405025 0.87 RARB (0.38) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8405028 0.87 RARB (0.38) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8405040 0.84 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8405038 0.84 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8401828 0.81 RARB (0.46) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8405017 0.81 RARB (0.46) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8401825 0.81 RARB (0.46) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL20437107 0.78 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL9617307 0.78 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E

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-0611119-B1 Optically active compound, liquid crystal composition containing same, liquid crystal device, display apparatus and display method CANON KK (JP) 1999-06-23 — — EP disclosed
US-5830386-A FLUOROALKYL-SUBSTITUTED PYRIMIDINE CANON KABUSHIKI KAISHA (JP) 1998-11-03 — — US disclosed
EP-0611119-A2 Optically active compound, liquid crystal composition containing same, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1994-08-17 — — EP disclosed
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