SCHEMBL6170113

SCHEMBL6170113

Cc1cccc(C(=O)c2[nH]c3cc(Cl)ccc3c2C(C(=O)O)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.43
PTGS2 P35354 2/20 0.40
MEN1 O00255 1/20 0.40
ABCC4 O15439 1/20 0.40
C5 P01031 1/20 0.40
MAPT P10636 1/20 0.40
PTGS1 P23219 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4D Q08499 1/20 0.40
ALOX15 P16050 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL6170675 0.91 MAP2 (0.44) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171214 0.91 ALOX15 (0.44) ENPP2PTGS2MEN1ABCC4C5
SCHEMBL6168377 0.88 MEN1 (0.46) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6170363 0.87 ALOX15 (0.43) PTGS2MEN1ABCC4C5MAPT
SCHEMBL7206121 0.87 ALOX15 (0.48) ALOX15
SCHEMBL6171334 0.86 ALOX15 (0.47) ENPP2PTGS2MEN1ABCC4C5
SCHEMBL6173340 0.86 PTGS2 (0.40) ENPP2PTGS2MEN1ABCC4C5
SCHEMBL6169060 0.84 GPR17 (0.44) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171989 0.84 SRD5A2 (0.43) MAPTKMT2A
SCHEMBL6169317 0.82 ALOX15 (0.44) PTGS2MEN1ABCC4C5MAPT

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
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed