SCHEMBL8894773

SCHEMBL8894773

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.46
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCR9 P51686 2/20 0.41
TBXA2R P21731 3/20 0.41
TBXAS1 P24557 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 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
SCHEMBL8897077 0.97 UTS2R (0.47) UTS2RHTTALDH1A1NPSR1CYP1A2
SCHEMBL8895274 0.95 UTS2R (0.45) UTS2RHTTALDH1A1NPSR1CYP1A2
SCHEMBL8895305 0.92 UTS2R (0.46) UTS2RHTTALDH1A1NPSR1CYP1A2
SCHEMBL8895365 0.92 UTS2R (0.46) UTS2RHTTALDH1A1NPSR1CYP1A2
SCHEMBL8894989 0.90 UTS2R (0.46) UTS2RALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8897696 0.90 NPSR1 (0.51) UTS2RHTTALDH1A1NPSR1TBXA2R
SCHEMBL8897066 0.90 UTS2R (0.49) UTS2RALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8896622 0.89 UTS2R (0.45) UTS2RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8897028 0.88 UTS2R (0.44) UTS2RALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8897039 0.88 UTS2R (0.44) UTS2RALDH1A1NPSR1CYP1A2CYP3A4

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