SCHEMBL3445658

SCHEMBL3445658

Cc1cc(-c2ccc(C(C)O)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.52
PTGS2 P35354 9/20 0.46
PTGS1 P23219 7/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
KMT2A Q03164 1/20 0.45
PDPK1 O15530 2/20 0.44
CYP2C9 P11712 2/20 0.44
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PTGES O14684 1/20 0.44
HDAC3 O15379 1/20 0.44
PDE5A O76074 1/20 0.44
ABCB11 O95342 1/20 0.44
MT-CO2 P00403 1/20 0.44
LMNA P02545 1/20 0.44
CA3 P07451 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL5312529 0.85 PTGS2 (0.58) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL347020 0.85 PTGS2 (0.58) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL2839074 0.84 CHRNA7 (0.53) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL5314124 0.81 CHRNA7 (0.66) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL2466828 0.81 CHRNA7 (0.66) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL2464195 0.81 CHRNA7 (0.50) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL5309196 0.81 CHRNA7 (0.66) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL347440 0.81 CHRNA7 (0.66) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL2462524 0.81 PTGS2 (0.60) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL2633085 0.80 PGR (0.41) CHRNA7LMNA

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-2444420-A1 P-Cadherin antibodies Pfizer Inc. (US) 2012-04-25 EP disclosed
EP-2444419-A1 P-Cadherin antibodies Pfizer Inc. (US) 2012-04-25 EP disclosed