SCHEMBL9065330

SCHEMBL9065330

CCCc1c(-c2ccc(C#N)cc2)ccc(C(=O)O)c1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.42
XDH P47989 2/20 0.40
SLC22A12 Q96S37 2/20 0.40
KDM1A O60341 1/20 0.40
BRS3 P32247 1/20 0.38
MCL1 Q07820 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM2 Q14416 1/20 0.37

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
SCHEMBL8676474 0.83 LTB4R2 (0.41) LTB4R2XDHSLC22A12KDM1ABRS3
SCHEMBL8676465 0.83 LTB4R2 (0.50) LTB4R2XDHSLC22A12BRS3
SCHEMBL7512343 0.77 LTB4R2 (0.53) LTB4R2XDHSLC22A12KDM1ABRS3
SCHEMBL8678080 0.76 MPL (0.45) LTB4R2KDM1ABRS3TSHRHSD17B10
SCHEMBL11753978 0.75 LTB4R2 (0.53) LTB4R2BRS3TSHRHSD17B10
SCHEMBL8678446 0.75 TSHR (0.46) LTB4R2TSHRHSD17B10
SCHEMBL8678895 0.75 GRIA2 (0.41) LTB4R2XDHSLC22A12BRS3GRIA2
SCHEMBL27746683 0.74 PTPN11 (0.46) MCL1GRM2
SCHEMBL9514700 0.74 LTB4R2 (0.53) LTB4R2BRS3TSHRHSD17B10
SCHEMBL9514122 0.73 LTB4R2 (0.52) LTB4R2BRS3MCL1TSHRHSD17B10

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-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed