SCHEMBL8895989

SCHEMBL8895989

COC(=O)CCCc1ccc(C(Cc2ccc(C)cc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.51
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42
S1PR1 P21453 3/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCR9 P51686 1/20 0.41

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
SCHEMBL8895471 0.96 NPSR1 (0.44) UTS2RALDH1A1S1PR1CYP3A4CYP2C19
SCHEMBL8895014 0.92 UTS2R (0.56) UTS2RALDH1A1LMNAKMT2AEGFR
SCHEMBL8896474 0.92 ADAMTS5 (0.49) ALDH1A1GAAS1PR1
SCHEMBL8896968 0.91 S1PR1 (0.49) UTS2RALDH1A1LMNAEGFRERBB2
SCHEMBL8895679 0.91 IDO1 (0.49) UTS2RALDH1A1KMT2AEGFRERBB2
SCHEMBL8894878 0.91 IDO1 (0.49) UTS2RALDH1A1KMT2AEGFRERBB2
SCHEMBL8897821 0.91 S1PR1 (0.49) UTS2RALDH1A1LMNAEGFRERBB2
SCHEMBL8895761 0.91 ALDH1A1 (0.49) UTS2RALDH1A1LMNAKMT2AEGFR
SCHEMBL8894760 0.91 ALDH1A1 (0.48) ALDH1A1LMNAKMT2AGAATDP1
SCHEMBL8896200 0.90 EGFR (0.45) UTS2RALDH1A1EGFRERBB2MAPT

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