SCHEMBL8897039

SCHEMBL8897039

COC(=O)CCCCc1ccc(C(CCC(C)(C)C)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.44
TBXA2R P21731 6/20 0.40
TBXAS1 P24557 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL8895242 0.97 UTS2R (0.45) UTS2RTBXA2RTBXAS1MEN1KMT2A
SCHEMBL8897028 0.96 UTS2R (0.44) UTS2RTBXA2RTBXAS1MEN1KMT2A
SCHEMBL8896048 0.93 UTS2R (0.45) UTS2RTBXA2RTBXAS1MEN1KMT2A
SCHEMBL8894772 0.91 UTS2R (0.44) UTS2RTBXA2RTBXAS1MEN1KMT2A
SCHEMBL8896350 0.90 TBXAS1 (0.48) UTS2RTBXA2RTBXAS1ALDH1A1NPSR1
SCHEMBL8419271 0.89 UTS2R (0.43) UTS2RTBXA2RTBXAS1MEN1KMT2A
SCHEMBL8894773 0.88 UTS2R (0.46) UTS2RTBXA2RTBXAS1MEN1KMT2A
SCHEMBL8894989 0.88 UTS2R (0.46) UTS2RTBXA2RTBXAS1MEN1KMT2A
SCHEMBL8897066 0.88 UTS2R (0.49) UTS2RTBXA2RTBXAS1MEN1KMT2A
SCHEMBL8895375 0.87 IDO1 (0.49) ALDH1A1NPSR1

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