SCHEMBL4430946

SCHEMBL4430946

Cc1cccc(C(c2cccc(C)c2)c2ccc(C(=O)O)c(=O)[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.46
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.39
ACP3 P15309 1/20 0.39
ALDH1A1 P00352 2/20 0.37
NOTUM Q6P988 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM5A P29375 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SORT1 Q99523 1/20 0.36
DHODH Q02127 1/20 0.36
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 1/20 0.35
PIN1 Q13526 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35

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
SCHEMBL4429520 0.87 KDM4E (0.42) HSD17B2KDM4EGAAHPGDHSD17B10
SCHEMBL4427252 0.84 KDM4E (0.53) HSD17B2KDM4EGAAPOLBALDH1A1
SCHEMBL4439660 0.83 KDM4E (0.41) KDM4EGAANOTUMMEN1KMT2A
SCHEMBL4431362 0.74 KDM4E (0.46) HSD17B2KDM4EGAAHPGDHSD17B10
SCHEMBL6197350 0.72 KDM4E (0.69) KDM4EGAAHPGDHSD17B10POLB
SCHEMBL4429591 0.72 GAA (0.51) HSD17B2KDM4EGAAHPGDHSD17B10
SCHEMBL5124119 0.72 KDM4E (0.49) KDM4EGAAHPGDHSD17B10POLB
SCHEMBL4431487 0.71 KDM4E (0.54) HSD17B2KDM4EGAAHSD17B10POLB
SCHEMBL4427283 0.71 KDM4E (0.47) HSD17B2KDM4EGAAALDH1A1MEN1
SCHEMBL4428254 0.70 HSD17B2 (0.49) HSD17B2KDM4EHPGDHSD17B10ACP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed