SCHEMBL14767261

SCHEMBL14767261

CCCCOc1ccc(OC(=O)c2ccc(-c3ccc(-c4ccc(OCCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.48
PTPN11 Q06124 2/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RARB P10826 3/20 0.43
MCL1 Q07820 1/20 0.43

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 0.98 FAAH (0.50) FAAHPTPN11MAPTSMN1; SMN2KMT2A
SCHEMBL14767137 0.95 FFAR1 (0.51) FAAHPTPN11MAPTKMT2AFFAR1
SCHEMBL14766339 0.94 S1PR1 (0.46) FAAHPTPN11MAPTSMN1; SMN2KMT2A
SCHEMBL12742795 0.93 PTPN11 (0.46) FAAHPTPN11MAPTKMT2AFFAR1
SCHEMBL14767108 0.93 MAPT (0.46) FAAHPTPN11MAPTSMN1; SMN2KMT2A
SCHEMBL14766017 0.91 S1PR1 (0.48) FAAHPTPN11MAPTSMN1; SMN2KMT2A
SCHEMBL12742796 0.91 PTPN11 (0.49) FAAHPTPN11MAPTSMN1; SMN2KMT2A
SCHEMBL9487110 0.91 PTPN11 (0.52) FAAHPTPN11SMN1; SMN2NPC1LMNA
SCHEMBL14766984 0.90 KMT2A (0.48) FAAHPTPN11MAPTSMN1; SMN2KMT2A
SCHEMBL14767234 0.90 ALDH1A1 (0.45) FAAHPTPN11MAPTSMN1; SMN2KMT2A

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