SCHEMBL8897077

SCHEMBL8897077

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.47
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCR9 P51686 2/20 0.42
TBXA2R P21731 1/20 0.42
TBXAS1 P24557 1/20 0.42
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
POLB P06746 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
SCHEMBL8894773 0.97 UTS2R (0.46) UTS2RHTTNPSR1ALDH1A1CYP1A2
SCHEMBL8895305 0.95 UTS2R (0.46) UTS2RHTTNPSR1ALDH1A1CYP1A2
SCHEMBL8895365 0.95 UTS2R (0.46) UTS2RHTTNPSR1ALDH1A1CYP1A2
SCHEMBL8897066 0.93 UTS2R (0.49) UTS2RNPSR1ALDH1A1CYP1A2CYP3A4
SCHEMBL8895274 0.92 UTS2R (0.45) UTS2RHTTNPSR1ALDH1A1CYP1A2
SCHEMBL8895319 0.91 UTS2R (0.47) UTS2RNPSR1ALDH1A1CYP1A2CYP3A4
SCHEMBL8895806 0.91 NPSR1 (0.43) UTS2RNPSR1ALDH1A1CYP1A2CYP3A4
SCHEMBL8895471 0.91 NPSR1 (0.44) UTS2RNPSR1ALDH1A1CYP1A2CYP3A4
SCHEMBL8895603 0.90 IDO1 (0.51) NPSR1ALDH1A1SMN1; SMN2POLB
SCHEMBL8897514 0.90 NPSR1 (0.42) NPSR1ALDH1A1CYP1A2CYP2C19SMN1; SMN2

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