SCHEMBL9037840

SCHEMBL9037840

CC(Oc1ccc(C(=O)O)cc1)c1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.44
CA2 P00918 9/20 0.44
CA12 O43570 8/20 0.44
CA9 Q16790 8/20 0.44
CA14 Q9ULX7 7/20 0.44
PTGS2 P35354 6/20 0.43
PTGS1 P23219 4/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CA3 P07451 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CYP2C19 P33261 1/20 0.41
NR4A2 P43354 3/20 0.40
FFAR1 O14842 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
SCHEMBL9026297 0.91 PTGS2 (0.53) PTGS2PTGS1ALDH1A1HPGDCYP2C19
SCHEMBL8551969 0.83 PTGS2 (0.49) CA1CA2CA12CA9CA14
SCHEMBL8549359 0.80 PTGS2 (0.52) CA1CA2CA12CA9CA14
SCHEMBL6002469 0.80 PTGS2 (0.50) CA1CA2CA12CA9CA14
SCHEMBL5823861 0.80 PTGS2 (0.50) CA1CA2CA12CA9CA14
SCHEMBL9026427 0.80 PTGS2 (0.43) PTGS2PTGS1HPGDCYP2C19NR4A2
SCHEMBL8550926 0.80 PTGS2 (0.52) CA1CA2CA12CA9CA14
SCHEMBL9097737 0.80 PTGS2 (0.46) CA1CA2CA12CA9CA14
SCHEMBL9025935 0.79 PTGS2 (0.55) PTGS2PTGS1LMNAALDH1A1CYP2C19
SCHEMBL9026123 0.79 PTGS2 (0.55) PTGS2PTGS1LMNAALDH1A1CYP2C19

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-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed