SCHEMBL8537438

SCHEMBL8537438

Cc1c(C)n(CCC(=O)O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.70
PTGDR2 Q9Y5Y4 12/20 0.67
TBXA2R P21731 1/20 0.67

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
SCHEMBL8544076 0.83 TBXAS1 (1.00) TBXAS1PTGDR2TBXA2R
SCHEMBL9814980 0.76 TBXAS1 (0.63) TBXAS1PTGDR2TBXA2R
SCHEMBL8537431 0.75 TBXAS1 (0.58) TBXAS1PTGDR2TBXA2R
SCHEMBL8541183 0.75 TBXAS1 (0.73) TBXAS1PTGDR2TBXA2R
SCHEMBL8539271 0.75 TBXAS1 (0.79) TBXAS1PTGDR2TBXA2R
SCHEMBL19368676 0.74 PTGDR2 (0.57) PTGDR2
SCHEMBL8543306 0.74 TBXAS1 (0.85) TBXAS1PTGDR2TBXA2R
SCHEMBL9814947 0.71 TBXAS1 (0.56) TBXAS1PTGDR2TBXA2R
SCHEMBL13677413 0.71 PTGDR2 (1.00) PTGDR2TBXA2R
SCHEMBL8539406 0.71 TBXAS1 (0.70) TBXAS1PTGDR2TBXA2R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP claimed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO claimed