SCHEMBL8678080

SCHEMBL8678080

CCCCc1c(C(=O)O)ccc(-c2ccc(C#N)cc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPL P40238 4/20 0.45
LTB4R2 Q9NPC1 2/20 0.44
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RARB P10826 6/20 0.41
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
LTB4R Q15722 1/20 0.38
BRS3 P32247 1/20 0.36
MGLL Q99685 1/20 0.36
APLNR P35414 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL8678446 0.96 TSHR (0.46) MPLLTB4R2TSHRHSD17B10RARB
SCHEMBL8676474 0.93 LTB4R2 (0.41) MPLLTB4R2TSHRHSD17B10RARB
SCHEMBL8678895 0.87 GRIA2 (0.41) MPLLTB4R2BRS3
SCHEMBL11753978 0.82 LTB4R2 (0.53) LTB4R2TSHRHSD17B10LTB4RBRS3
SCHEMBL9514700 0.79 LTB4R2 (0.53) LTB4R2TSHRHSD17B10RARBBRS3
SCHEMBL9514122 0.78 LTB4R2 (0.52) LTB4R2TSHRHSD17B10RARBRARA
SCHEMBL4651806 0.78 GRIA2 (0.43) MPLLTB4R2TSHRHSD17B10RARB
SCHEMBL11768545 0.78 LTB4R2 (0.53) LTB4R2TSHRHSD17B10RARBRARA
SCHEMBL9065330 0.76 LTB4R2 (0.42) LTB4R2TSHRHSD17B10BRS3KDM1A
SCHEMBL7516259 0.75 TSHR (0.46) LTB4R2TSHRHSD17B10RARBRARA

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