SCHEMBL8405025

SCHEMBL8405025

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.38
▸ PLA2G4B P0C869 2/20 0.38
▸ NR5A1 Q13285 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ S1PR1 P21453 3/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ S1PR4 O95977 2/20 0.34
▸ S1PR5 Q9H228 2/20 0.34
▸ S1PR2 O95136 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GCGR P47871 2/20 0.34
▸ ACACB O00763 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
SCHEMBL8405028 1.00 RARB (0.38) RARBPLA2G4BNR5A1TP53TSHR
SCHEMBL8405832 0.87 RAB9A (0.40) RARBPLA2G4BS1PR1NPC1RAB9A
SCHEMBL8405834 0.87 RAB9A (0.40) RARBPLA2G4BS1PR1NPC1RAB9A
SCHEMBL8402267 0.84 RARB (0.46) RARBTP53NPC1RAB9ASMN1; SMN2
SCHEMBL8402270 0.84 RARB (0.46) RARBTP53NPC1RAB9ASMN1; SMN2
SCHEMBL8401828 0.81 RARB (0.46) RARBPLA2G4BS1PR1NPC1RAB9A
SCHEMBL8405017 0.81 RARB (0.46) RARBPLA2G4BS1PR1NPC1RAB9A
SCHEMBL8401825 0.81 RARB (0.46) RARBPLA2G4BS1PR1NPC1RAB9A
SCHEMBL20437107 0.78 RAB9A (0.50) RARBPLA2G4BNPC1RAB9ASMN1; SMN2
SCHEMBL9617307 0.78 RAB9A (0.50) RARBPLA2G4BNPC1RAB9ASMN1; SMN2

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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