SCHEMBL5502156

SCHEMBL5502156

Cc1cc([C@H](C)NC(=O)c2cc(Cl)ccc2O)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PTGER4 P35408 8/20 0.49
PTGER2 P43116 2/20 0.48
TMPRSS4 Q9NRS4 3/20 0.46
P2RX1 P51575 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BCL2 P10415 1/20 0.45
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45
BCL2A1 Q16548 1/20 0.45
BAK1 Q16611 1/20 0.45
PHGDH O43175 1/20 0.44
KCNMA1 Q12791 1/20 0.44
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL4012461 0.86 PTGER4 (0.64) PTGER4PTGER2KDM4ELMNAHPGD
SCHEMBL26097486 0.84 P2RX1 (0.56) CA1CA2PTGER4PTGER2TMPRSS4
SCHEMBL26097490 0.84 P2RX1 (0.56) CA1CA2PTGER4PTGER2TMPRSS4
SCHEMBL30100454 0.84 P2RX1 (0.56) CA1CA2PTGER4PTGER2TMPRSS4
SCHEMBL26095797 0.82 HPGD (0.68) CA1CA2PTGER4TMPRSS4P2RX1
SCHEMBL17329358 0.82 HPGD (0.68) CA1CA2PTGER4TMPRSS4P2RX1
SCHEMBL15889798 0.82 HPGD (0.68) CA1CA2PTGER4TMPRSS4P2RX1
SCHEMBL30100509 0.82 HPGD (0.68) CA1CA2PTGER4TMPRSS4P2RX1
SCHEMBL30100413 0.82 HPGD (0.68) CA1CA2PTGER4TMPRSS4P2RX1
SCHEMBL23675460 0.80 P2RX1 (0.60) PTGER4PTGER2P2RX1KDM4ELMNA

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-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed