SCHEMBL6720880

SCHEMBL6720880

CC(C)(C)CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 20/20 0.52

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
SCHEMBL4670457 0.81 HSPB1 (0.51)
SCHEMBL8977084 0.80 MEN1 (0.53) TBXA2R
SCHEMBL6725208 0.80 TBXA2R (0.55) TBXA2R
SCHEMBL8743939 0.75 SHBG (0.52)
SCHEMBL11240386 0.74 TDP1 (0.57) TBXA2R
SCHEMBL13242050 0.73 ALDH1A1 (0.50) TBXA2R
SCHEMBL15055593 0.72 MAPT (0.65)
SCHEMBL15054866 0.72 HSPB1 (0.58) TBXA2R
SCHEMBL10673196 0.72 TBXA2R (0.54) TBXA2R
SCHEMBL28326327 0.72 HSPB1 (0.50) TBXA2R

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
US-6677473-B1 TREATMENT, PREVENTION OR AMELIORATION OF ONE OR MORE SYMPTOMS OF THROMBOTIC DISORDERS, UNSTABLE ANGINA OR CANCER CORVAS INTERNATIONAL INC 2004-01-13 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed