SCHEMBL8678448

SCHEMBL8678448

CCCCCc1c(C(=O)O)cccc1-c1ccc(C#N)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
RARA P10276 1/20 0.47
RARG P13631 1/20 0.47
LTB4R2 Q9NPC1 2/20 0.42
PTPN11 Q06124 1/20 0.42
MCL1 Q07820 1/20 0.40
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C9 P11712 1/20 0.39
S1PR1 P21453 1/20 0.39
SYK P43405 1/20 0.39
LTB4R Q15722 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL8678083 0.97 LTB4R2 (0.43) RARBRARARARGLTB4R2PTPN11
SCHEMBL8676486 0.92 SYK (0.45) RARBRARARARGLTB4R2SLC22A12
SCHEMBL8678897 0.88 SYK (0.43) LTB4R2SLC22A12CYP2C9S1PR1SYK
SCHEMBL4650767 0.85 RARB (0.55) RARBRARARARGLTB4R2AGTR1
SCHEMBL9192052 0.83 CYP11B2 (0.37) SLC22A12CD274CYP11B1CYP11B2
SCHEMBL9514700 0.82 LTB4R2 (0.53) RARBLTB4R2PTPN11AGTR1AGTR2
SCHEMBL7516262 0.81 RARB (0.60) RARBRARARARGLTB4R2MCL1
SCHEMBL9514122 0.81 LTB4R2 (0.52) RARBRARARARGLTB4R2PTPN11
SCHEMBL11753978 0.78 LTB4R2 (0.53) LTB4R2AGTR1AGTR2LTB4R
SCHEMBL4651808 0.78 RARB (0.55) RARBRARARARGLTB4R2MCL1

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-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed