SCHEMBL8897243

SCHEMBL8897243

CCCCCC(NS(=O)(=O)c1ccccc1)c1ccc(CCCC(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
METAP2 P50579 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PPARG P37231 2/20 0.41
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
MMP12 P39900 3/20 0.41
MMP14 P50281 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL8895460 0.91 UTS2R (0.44) ALDH1A1ATML3MBTL1CYP2C9CYP2C19
SCHEMBL8898417 0.90 ALDH1A1 (0.52) ALDH1A1ATML3MBTL1METAP2CYP1A2
SCHEMBL8895709 0.90 IDO1 (0.50) ALDH1A1ATML3MBTL1MMP2MMP9
SCHEMBL8897166 0.90 UTS2R (0.46) ALDH1A1ATML3MBTL1CYP1A2CYP2C9
SCHEMBL8896101 0.90 FFAR1 (0.47) ALDH1A1ATML3MBTL1METAP2CYP1A2
SCHEMBL8895359 0.90 HSD17B10 (0.49) ALDH1A1HDAC1MMP2MMP9MMP8
SCHEMBL8896944 0.90 ALDH1A1 (0.44) ALDH1A1ATML3MBTL1CYP1A2CYP2C9
SCHEMBL8897755 0.89 FFAR1 (0.47) ALDH1A1ATML3MBTL1METAP2PPARG
SCHEMBL8895738 0.89 UTS2R (0.45) ALDH1A1ATML3MBTL1CYP1A2CYP2C9
SCHEMBL8895286 0.89 UTS2R (0.45) ALDH1A1ATML3MBTL1CYP1A2CYP2C9

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