SCHEMBL13586185

SCHEMBL13586185

CCC1CCC(c2ccc(OC(=O)C3CCC(c4ccc(C5CO5)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.33
▸ OPRL1 P41146 6/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ GPR119 Q8TDV5 2/20 0.30
▸ DGAT1 O75907 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12823430 0.94 HPGD (0.32) HPGDLMNAALOX15MEN1RAB9A
SCHEMBL12823378 0.93 CYP2C9 (0.36) HPGDOPRL1LMNAGPR119MEN1
SCHEMBL13586110 0.89 IDH1 (0.33) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12823686 0.87 CYP2C9 (0.37) HPGDOPRL1LMNAMEN1KMT2A
SCHEMBL12823008 0.86 CYP2C9 (0.38) HPGDOPRL1LMNAALOX15MEN1
SCHEMBL12821242 0.86 GSTO1 (0.32) GPR119
SCHEMBL12822282 0.86 HPGD (0.31) HPGDLMNAALOX15
SCHEMBL12717795 0.85 HPGD (0.31) HPGD
SCHEMBL12717143 0.85 HPGD (0.32) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12737188 0.85 HPGD (0.42) HPGDKDM5AKDM4CLMNAALOX15

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-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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