SCHEMBL14767277

SCHEMBL14767277

CCCCOc1ccc(-c2ccc(-c3ccc(OC(=O)c4ccc(OCCCC)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
LMNA P02545 4/20 0.46
NPC1 O15118 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
PTPN11 Q06124 1/20 0.45
TSHR P16473 1/20 0.45
FAAH O00519 2/20 0.44

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
SCHEMBL14767080 0.98 MAPT (0.45) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL14766751 0.96 FFAR1 (0.46) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL12741896 0.94 THRA (0.44) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL14766984 0.93 KMT2A (0.48) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL14767126 0.92 ALDH1A1 (0.44) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL14767083 0.92 PRSS1 (0.41) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL12741901 0.92 THRA (0.47) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL14767108 0.91 MAPT (0.46) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL12741905 0.91 THRA (0.49) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL12741920 0.91 THRA (0.49) LMNANPC1CYP1A2CYP2C9CYP2C19

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