SCHEMBL8897644

SCHEMBL8897644

CCOC(=O)CCCc1ccc(CC2(NS(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
CYP4Z1 Q86W10 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP4F11 Q9HBI6 1/20 0.41
CYP4F12 Q9HCS2 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FKBP1A P62942 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
AKT1 P31749 1/20 0.38
IRS1 P35568 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
SCHEMBL8895764 0.91 TBXA2R (0.42) ALDH1A1MMP1MMP13
SCHEMBL8895561 0.90 TBXAS1 (0.42) ALDH1A1MMP1MMP13
SCHEMBL8897202 0.90 TBXAS1 (0.42) ALDH1A1MMP1MMP13
SCHEMBL8894976 0.88 TBXA2R (0.42) ALDH1A1MMP1MMP13
SCHEMBL8896977 0.87 TBXA2R (0.41) ALDH1A1MMP1MMP13
SCHEMBL8896692 0.87 TBXA2R (0.43) GAAALDH1A1MAPTMMP1MMP13
SCHEMBL8894954 0.86 TBXA2R (0.46) GAAALDH1A1NPSR1
SCHEMBL8896800 0.85 IDO1 (0.46) GAAALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL8896379 0.85 TBXA2R (0.45) GAAALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL8895261 0.85 TBXA2R (0.45) GAAALDH1A1NPSR1HTTSMN1; 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