SCHEMBL8897043

SCHEMBL8897043

COC(=O)CCCc1ccc(C(CCc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
UTS2R Q9UKP6 2/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
MMP2 P08253 2/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
MMP9 P14780 1/20 0.43
TBXAS1 P24557 3/20 0.43
TBXA2R P21731 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8896351 0.96 ALDH1A1 (0.46) ALDH1A1TP53GAAUTS2RATM
SCHEMBL8897066 0.96 UTS2R (0.49) ALDH1A1UTS2RATML3MBTL1TBXAS1
SCHEMBL8896393 0.95 ALDH1A1 (0.46) ALDH1A1TP53GAAUTS2RATM
SCHEMBL8897709 0.94 ALDH1A1 (0.45) ALDH1A1TP53GAAUTS2RATM
SCHEMBL8894880 0.94 ALDH1A1 (0.45) ALDH1A1TP53GAAUTS2RATM
SCHEMBL8896098 0.92 UTS2R (0.46) ALDH1A1UTS2RATML3MBTL1TBXAS1
SCHEMBL8895014 0.92 UTS2R (0.56) ALDH1A1TP53GAAUTS2RATM
SCHEMBL8896474 0.92 ADAMTS5 (0.49) ALDH1A1TP53GAAATML3MBTL1
SCHEMBL8896574 0.92 UTS2R (0.45) ALDH1A1TP53GAAUTS2RATM
SCHEMBL8895823 0.92 UTS2R (0.47) ALDH1A1TP53GAAUTS2RL3MBTL1

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
US-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed