SCHEMBL9686680

SCHEMBL9686680

CCCCS(=O)(=O)Oc1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.42
ALPI P09923 4/20 0.42
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP14 P50281 2/20 0.39
MMP7 P09237 1/20 0.39
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
STS P08842 5/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
ENPP2 Q13822 1/20 0.36
JAK1 P23458 1/20 0.35
AR P10275 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL7297750 0.95 ALPL (0.43) ALPLALPIMMP2MMP9MMP14
SCHEMBL1008446 0.89 MMP2 (0.48) ALPLALPIMMP2MMP9MMP14
SCHEMBL23449 0.83 MMP2 (0.44) ALPLALPIMMP2MMP9MMP14
SCHEMBL3863280 0.81 KMT2A (0.53) ALPLALPIMMP2MMP9MMP14
SCHEMBL6671842 0.80 ALPL (0.39) ALPLALPIMMP2MMP9MMP14
SCHEMBL27608810 0.80 KMT2A (0.52) ALPLALPIMMP2MMP9MMP14
SCHEMBL28444853 0.80 KMT2A (0.52) ALPLALPIMMP2MMP9MMP14
SCHEMBL27656352 0.80 CA2 (0.50) ALPLALPIMMP2MMP9MMP14
SCHEMBL11062482 0.79 ALPL (0.45) ALPLALPIMMP2MMP9MMP14
SCHEMBL29270364 0.79 CA2 (0.48) ALPLALPIMMP2MMP9MMP14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed