SCHEMBL4429520

SCHEMBL4429520

Cc1cc(C)cc(C(c2cc(C)cc(C)c2)c2ccc(C(=O)O)c(=O)[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
GAA P10253 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TTR P02766 1/20 0.37
UCHL1 P09936 2/20 0.36
HSD17B2 P37059 3/20 0.36
TPMT P51580 1/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
CSNK2A1 P68400 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
RXRA P19793 1/20 0.33

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
SCHEMBL4430946 0.87 HSD17B2 (0.46) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL4427252 0.81 KDM4E (0.53) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL4439660 0.75 KDM4E (0.41) KDM4EGAANAPRT
SCHEMBL5124119 0.75 KDM4E (0.49) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL4431362 0.75 KDM4E (0.46) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL4428254 0.74 HSD17B2 (0.49) KDM4EHPGDHSD17B10ALDH1A1UCHL1
SCHEMBL25149490 0.73 KDM4E (0.65) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL3071414 0.72 KDM4E (0.49) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL21798220 0.71 KDM4E (0.53) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL2594966 0.69 SPR (0.56) KDM4EGAAHPGDHSD17B10ALDH1A1

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