SCHEMBL14767137

SCHEMBL14767137

CCCCOc1ccc(-c2ccc(-c3ccc(C(=O)Oc4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.51
FFAR4 Q5NUL3 2/20 0.51
FAAH O00519 3/20 0.47
PTPN11 Q06124 1/20 0.46
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
PPARD Q03181 1/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL14767139 0.97 FAAH (0.50) FFAR1FFAR4FAAHPTPN11MAPT
SCHEMBL14766235 0.95 FFAR1 (0.50) FFAR1FFAR4FAAHPTPN11MAPT
SCHEMBL14767261 0.95 FAAH (0.48) FFAR1FFAR4FAAHPTPN11MAPT
SCHEMBL14767138 0.94 MAPT (0.48) FFAR1FFAR4MAPTKMT2ATHRB
SCHEMBL14766017 0.93 S1PR1 (0.48) FFAR1FFAR4FAAHPTPN11MAPT
SCHEMBL9487110 0.92 PTPN11 (0.52) FAAHPTPN11THRBNPC1LMNA
SCHEMBL14767285 0.92 MAPT (0.46) FFAR1FFAR4FAAHPTPN11MAPT
SCHEMBL12742795 0.92 PTPN11 (0.46) FFAR1FFAR4FAAHPTPN11MAPT
SCHEMBL14767234 0.91 ALDH1A1 (0.45) FFAR1FFAR4FAAHPTPN11MAPT
SCHEMBL12742786 0.91 RARB (0.52) FFAR1FFAR4FAAHPTPN11MAPT

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
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed