SCHEMBL12951908

SCHEMBL12951908

O=C1Cc2cc(C(=O)O)n(Cc3ccccc3)c2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.51
GPR35 Q9HC97 1/20 0.48
FABP4 P15090 4/20 0.41
NOTUM Q6P988 1/20 0.41
FABP3 P05413 1/20 0.40
TSHR P16473 3/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
S1PR2 O95136 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
LMNA P02545 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
SCHEMBL12951909 0.85 MAPT (0.52) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10592159 0.78 CCR2 (0.52) CCR2GPR35FABP4NOTUMFABP3
SCHEMBL12951911 0.77 ALDH1A1 (0.42) MEN1HPGDKMT2AGSK3AGSK3B
SCHEMBL14229126 0.71 CCR2 (0.58) CCR2GPR35NOTUMTSHRPOLB
SCHEMBL289221 0.70 CAPN1 (0.54) CCR2GPR35FABP4NOTUMTSHR
SCHEMBL3802542 0.70 ALDH1A1 (0.62) CCR2GPR35NOTUMMEN1HPGD
SCHEMBL12584599 0.69 CCR2 (0.53) CCR2FABP4MEN1KMT2ASMN1; SMN2
SCHEMBL5378162 0.68 CCR2 (1.00) CCR2GPR35POLBALDH1A1
SCHEMBL12951913 0.68 F2 (0.44) NOTUMPOLBRECQLMEN1HPGD
SCHEMBL7052102 0.66 CCR2 (0.56) CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed