SCHEMBL6170168

SCHEMBL6170168

Cc1ccccc1C(=O)c1[nH]c2cc(Cl)ccc2c1C(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.43
MAP2 P11137 1/20 0.42
PTGS2 P35354 2/20 0.42
MEN1 O00255 1/20 0.42
ABCC4 O15439 1/20 0.42
C5 P01031 1/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4D Q08499 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MDM2 Q00987 2/20 0.41
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL6169599 0.89 RECQL (0.44) ALOX15MAP2PTGS2MEN1ABCC4
SCHEMBL7202712 0.86 ALOX15 (0.50) ALOX15MDM2
SCHEMBL6168377 0.85 MEN1 (0.46) MAP2PTGS2MEN1ABCC4C5
SCHEMBL6173901 0.84 TSHR (0.43) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6170363 0.82 ALOX15 (0.43) ALOX15PTGS2MEN1ABCC4C5
SCHEMBL6170113 0.81 ENPP2 (0.43) ALOX15PTGS2MEN1ABCC4C5
SCHEMBL6169060 0.81 GPR17 (0.44) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171214 0.81 ALOX15 (0.44) ALOX15PTGS2MEN1ABCC4C5
SCHEMBL6168973 0.80 PTGS2 (0.57) PTGS2
SCHEMBL7202586 0.79 ALOX15 (0.49) ALOX15TP53MDM2

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