SCHEMBL4431487

SCHEMBL4431487

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
GAA P10253 3/20 0.54
GLA P06280 1/20 0.54
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.40
HSD17B2 P37059 2/20 0.40
MITF O75030 1/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PADI4 Q9UM07 1/20 0.39
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.38
ERCC1 P07992 1/20 0.38

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
SCHEMBL4437347 0.86 GAA (0.51) KDM4EGAAGLAALDH1A1MAPT
SCHEMBL4427283 0.84 KDM4E (0.47) KDM4EGAAGLAALDH1A1MAPT
SCHEMBL4429591 0.83 GAA (0.51) KDM4EGAAGLAALDH1A1MAPT
SCHEMBL4427252 0.83 KDM4E (0.53) KDM4EGAAALDH1A1MAPTHSD17B2
SCHEMBL4438805 0.82 HSD17B2 (0.48) KDM4EGAAGLAHSD17B2CFTR
SCHEMBL4436626 0.81 CFTR (0.46) KDM4EGAAGLAALDH1A1MAPT
SCHEMBL4898553 0.78 KDM4E (0.60) KDM4EGAAGLAALDH1A1MAPT
SCHEMBL4432510 0.75 KDM4E (0.49) KDM4EGAAGLAALDH1A1MAPT
SCHEMBL4437640 0.74 KDM4E (0.68) KDM4EGAAGLAALDH1A1MAPT
SCHEMBL4429436 0.72 KDM4E (0.53) KDM4EGAAGLAALDH1A1MAPT

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