SCHEMBL8971065

SCHEMBL8971065

CC(=O)Oc1ccc(CCNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.68
TBXAS1 P24557 1/20 0.68
ALDH1A1 P00352 6/20 0.63
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
AKR1C3 P42330 2/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
TDP1 Q9NUW8 2/20 0.56
HTT P42858 1/20 0.55
SGMS1 Q86VZ5 3/20 0.55
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL11108981 0.88 ALDH1A1 (0.59) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2
SCHEMBL8840166 0.87 TBXA2R (0.64) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2
SCHEMBL10460747 0.82 ALDH1A1 (0.63) TBXA2RTBXAS1ALDH1A1MAPTMEN1
SCHEMBL11336056 0.82 TBXA2R (0.65) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2
Sulotroban SCHEMBL34187 0.81 TBXA2R (1.00) TBXA2RTBXAS1ALDH1A1POLBMAPT
SCHEMBL10462122 0.81 TBXA2R (0.58) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2
SCHEMBL12676129 0.81 TBXA2R (0.71) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2
SCHEMBL11332922 0.79 TBXA2R (0.81) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2
SCHEMBL9127040 0.79 TBXA2R (0.81) TBXA2RTBXAS1ALDH1A1POLBMAPT
SCHEMBL412302 0.79 ALDH1A1 (0.79) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545671-A ADMINISTERING A CYCLODEXTRIN CLATHRATE OF EPTALOPROST OR CICAPROST SCHERING AKTIENGESELLSCHAFT (DE) 1996-08-13 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
WO-1991004739-A1 USE OF PROSTACYCLIN DERIVATIVES AGAINST METASTASES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-04-18 WO disclosed
EP-0421562-A2 Use of prostacyclin analogs against metastases SCHERING AKTIENGESELLSCHAFT (DE) 1991-04-10 EP disclosed