SCHEMBL8676474

SCHEMBL8676474

CCCc1c(C(=O)O)ccc(-c2ccc(C#N)cc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.41
KDM1A O60341 2/20 0.39
MPL P40238 3/20 0.39
BRS3 P32247 1/20 0.38
RARB P10826 2/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
RXRA P19793 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
XDH P47989 4/20 0.37
SLC22A12 Q96S37 4/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
EIF4E P06730 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
SCHEMBL8678080 0.93 MPL (0.45) LTB4R2KDM1AMPLBRS3RARB
SCHEMBL8678446 0.91 TSHR (0.46) LTB4R2MPLRARBRARARARG
SCHEMBL8678895 0.90 GRIA2 (0.41) LTB4R2MPLBRS3RXRAGRIA2
SCHEMBL9065330 0.83 LTB4R2 (0.42) LTB4R2KDM1ABRS3GRIA2GRIA4
SCHEMBL8676465 0.82 LTB4R2 (0.50) LTB4R2BRS3XDHSLC22A12
SCHEMBL7511313 0.77 GRIA2 (0.44) LTB4R2RARBRARARARGRXRA
SCHEMBL7512343 0.76 LTB4R2 (0.53) LTB4R2KDM1ABRS3RARBRARA
SCHEMBL11753978 0.74 LTB4R2 (0.53) LTB4R2BRS3TSHRHSD17B10
SCHEMBL10337973 0.74 TSHR (0.43) KDM1ATSHRHSD17B10
SCHEMBL2426967 0.74 KAT6A (0.47) LTB4R2BRS3XDHSLC22A12

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