SCHEMBL4427252

SCHEMBL4427252

O=C(O)c1ccc(C(c2ccccc2)c2ccccc2)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
NAPRT Q6XQN6 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM6B O15054 4/20 0.39
KDM4A O75164 4/20 0.39
KDM4D Q6B0I6 4/20 0.39
HIF1AN Q9NWT6 4/20 0.39
KDM5B Q9UGL1 4/20 0.39
KDM2A Q9Y2K7 4/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM3B Q7LBC6 4/20 0.38
KDM5A P29375 1/20 0.38
PARP1 P09874 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
SCHEMBL4439660 0.84 KDM4E (0.41) KDM4ENAPRTKMT2AMEN1GAA
SCHEMBL4430946 0.84 HSD17B2 (0.46) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL4428254 0.82 HSD17B2 (0.49) KDM4EKMT2AMEN1ALDH1A1HSD17B2
SCHEMBL4429520 0.81 KDM4E (0.42) KDM4ENAPRTPOLBALDH1A1GAA
SCHEMBL4431362 0.80 KDM4E (0.46) KDM4ENAPRTKMT2AALDH1A1GAA
SCHEMBL4428130 0.80 KDM4E (0.46) KDM4ENAPRTKMT2AALDH1A1GAA
SCHEMBL5124119 0.77 KDM4E (0.49) KDM4ENAPRTPOLBALDH1A1GAA
SCHEMBL3071414 0.77 KDM4E (0.49) KDM4ENAPRTKMT2APOLBALDH1A1
SCHEMBL4430955 0.71 KDM4E (0.47) KDM4ENAPRTALDH1A1KDM6BKDM4A
Phthalic Acid SCHEMBL30249230 0.71 ALDH1A1 (0.70) KDM4ENAPRTKMT2APOLBALDH1A1

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