SCHEMBL8733718

SCHEMBL8733718

O=C(O)CCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.71
ALDH1A1 P00352 1/20 0.57
NPY5R Q15761 2/20 0.56
NPY1R P25929 1/20 0.56
CYP1A2 P05177 1/20 0.53
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
ACACB O00763 1/20 0.49
TPSAB1 Q15661 1/20 0.46
TBXAS1 P24557 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL8734677 0.88 TBXA2R (0.84) TBXA2RALDH1A1NPY5RNPY1RHDAC3
SCHEMBL8757098 0.85 TBXA2R (0.83) TBXA2R
SCHEMBL8758402 0.84 TBXA2R (0.63) TBXA2RALDH1A1
SCHEMBL8758409 0.82 TBXA2R (0.83) TBXA2R
SCHEMBL8758625 0.81 TBXA2R (0.81) TBXA2RTBXAS1
SCHEMBL8757930 0.78 TBXA2R (0.82) TBXA2R
SCHEMBL8757138 0.78 TBXA2R (0.62) TBXA2RALDH1A1
SCHEMBL8734679 0.77 TBXA2R (0.67) TBXA2RALDH1A1NPY5RNPY1RHDAC3
SCHEMBL8731670 0.76 TBXA2R (0.82) TBXA2R
SCHEMBL10406410 0.76 TBXA2R (0.55) TBXA2RALDH1A1CYP1A2TBXAS1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750524-A ADMINISTERING AN SULFAMIDE SUBSTITUTED INDAN DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0589037-B1 INDIAN DERIVATIVE AND THROMBOXANE ANTAGONIST CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-05-29 EP disclosed
US-5409956-A A sulfonylaminoalkylindan carboxylic acid or ester for treating thrombosis, vasospasm or asthma ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0589037-A1 INDIAN DERIVATIVE AND THROMBOXANE ANTAGONIST CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1994-03-30 EP disclosed