SCHEMBL18175589

SCHEMBL18175589

CCCCCCOc1ccc(COc2ccc(C3=CCC(c4ccc(OCC)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.35
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ S1PR1 P21453 2/20 0.31
▸ S1PR3 Q99500 2/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ FPR2 P25090 1/20 0.30
▸ KDM1A O60341 2/20 0.30
▸ S1PR2 O95136 1/20 0.30
▸ LPAR2 Q9HBW0 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ CDK9 P50750 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
SCHEMBL18175649 0.97 THRA (0.32) NAAATHRATHRBS1PR1S1PR3
SCHEMBL15381818 0.96 NAAA (0.35) NAAAL3MBTL1KDM1ACCNT1CDK9
SCHEMBL11933449 0.94 S1PR4 (0.32) NAAATHRATHRBS1PR1S1PR3
SCHEMBL15381603 0.93 NAAA (0.39) NAAAKDM1ACCNT1CDK9
SCHEMBL18175652 0.92 NAAA (0.33) NAAAPTPN11FPR2
SCHEMBL15381802 0.91 NAAA (0.36) NAAACCNT1CDK9
SCHEMBL11933448 0.91 CCNT1 (0.33) NAAACCNT1CDK9
SCHEMBL18175582 0.90 NAAA (0.32) NAAAFPR2
SCHEMBL11933480 0.89 NAAA (0.31) NAAAFPR2
SCHEMBL18175585 0.89 FPR2 (0.32) PTPN11FPR2

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
EP-2479162-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 — — EP disclosed
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