SCHEMBL4431362

SCHEMBL4431362

Cc1ccccc1C(c1ccc(C(=O)O)c(=O)[nH]1)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
HSD17B2 P37059 1/20 0.44
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MYC P01106 1/20 0.37
UCHL1 P09936 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
NOTUM Q6P988 1/20 0.36
SPR P35270 1/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACP3 P15309 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 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
SCHEMBL4428130 0.82 KDM4E (0.46) KDM4EHSD17B2GAAMAPTALDH1A1
SCHEMBL4427252 0.80 KDM4E (0.53) KDM4EHSD17B2GAAMAPTALDH1A1
SCHEMBL4429520 0.75 KDM4E (0.42) KDM4EHSD17B2GAAHPGDHSD17B10
SCHEMBL4430946 0.74 HSD17B2 (0.46) KDM4EHSD17B2GAAHPGDHSD17B10
SCHEMBL5124119 0.74 KDM4E (0.49) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL3071414 0.71 KDM4E (0.49) KDM4EHSD17B2GAAHPGDHSD17B10
SCHEMBL21798220 0.70 KDM4E (0.53) KDM4EHSD17B2GAAHPGDHSD17B10
SCHEMBL4439660 0.69 KDM4E (0.41) KDM4EGAANAPRTNOTUMKMT2A
SCHEMBL2594966 0.68 SPR (0.56) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL15177713 0.68 LMNA (0.34) KDM4EHSD17B2HPGDMAPTALDH1A1

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