SCHEMBL8897207

SCHEMBL8897207

COC(=O)CCCc1ccc(C(CCCC(C)(C)C)NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8898592 0.91 ALDH1A1 (0.48) ALDH1A1ATML3MBTL1CYP1A2CYP2C9
SCHEMBL8896048 0.90 UTS2R (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL8896082 0.90 SIGMAR1 (0.41) ALDH1A1ATML3MBTL1CYP1A2CYP2C19
SCHEMBL8896786 0.90 IDO1 (0.49) ALDH1A1ATML3MBTL1NPSR1POLB
SCHEMBL8897243 0.89 ALDH1A1 (0.47) ALDH1A1ATML3MBTL1CYP1A2CYP2C9
SCHEMBL8896944 0.89 ALDH1A1 (0.44) ALDH1A1ATML3MBTL1CYP1A2CYP2C9
SCHEMBL8896036 0.88 SIGMAR1 (0.40) ALDH1A1ATML3MBTL1CYP1A2CYP2C19
SCHEMBL8894772 0.88 UTS2R (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL8895791 0.88 IDO1 (0.48) ALDH1A1ATML3MBTL1NPSR1POLB
SCHEMBL8897028 0.87 UTS2R (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19HDAC1

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