SCHEMBL8896048

SCHEMBL8896048

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.45
TBXAS1 P24557 4/20 0.41
TBXA2R P21731 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
IDO1 P14902 1/20 0.38
CCR9 P51686 1/20 0.38

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
SCHEMBL8894772 0.98 UTS2R (0.44) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8897028 0.97 UTS2R (0.44) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8895242 0.96 UTS2R (0.45) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8897039 0.93 UTS2R (0.44) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8897066 0.91 UTS2R (0.49) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8419454 0.90 UTS2R (0.44) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8896786 0.90 IDO1 (0.49) ALDH1A1NPSR1IDO1
SCHEMBL8896082 0.90 SIGMAR1 (0.41) ALDH1A1CYP1A2CYP2C19NPSR1IDO1
SCHEMBL8897207 0.90 ALDH1A1 (0.43) KMT2AALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL8895050 0.90 UTS2R (0.42) UTS2RTBXAS1TBXA2RMEN1KMT2A

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