SCHEMBL10526592

SCHEMBL10526592

COC1c2ccccc2CSc2ccc(C(=O)O)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 1/20 0.52
▸ GAA P10253 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ LMNA P02545 5/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 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
SCHEMBL9046208 0.89 ALDH1A1 (0.47) TBXA2RGAAALDH1A1MAPTKMT2A
SCHEMBL9046179 0.79 MAPT (0.50) GAAALDH1A1MAPTKMT2ALMNA
SCHEMBL10921909 0.77 TBXA2R (0.53) TBXA2R
SCHEMBL9045008 0.75 DRD2 (0.43) GAAALDH1A1MAPTKMT2ALMNA
SCHEMBL14997683 0.71 ALDH1A1 (0.55) TBXA2RGAAALDH1A1MAPTKMT2A
SCHEMBL30572069 0.71 TTR (0.47) GAAKMT2ALMNAMEN1SRD5A2
SCHEMBL26119256 0.71 TTR (0.47) GAAKMT2ALMNAMEN1SRD5A2
SCHEMBL9375392 0.69 TBXA2R (0.56) TBXA2RGAAALDH1A1MAPTKMT2A
SCHEMBL9371402 0.69 TBXA2R (1.00) TBXA2R
SCHEMBL11463305 0.69 HSD17B3 (0.48) GAAALDH1A1MAPTKMT2AKDM4E

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-4882351-A CARDIOVASCULAR DISORDERS; ROUSSEL UCLAF (FR) 1989-11-21 — — US disclosed
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