SCHEMBL9862938

SCHEMBL9862938

CC(C)[C@H](C(=O)OCl)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 17/20 0.59
ADRB2 P07550 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL11400312 1.00 FFAR2 (0.59) FFAR2ADRB2MEN1KMT2ALMNA
SCHEMBL10614514 0.87 FFAR2 (0.61) FFAR2ADRB2MEN1KMT2ALMNA
SCHEMBL10614521 0.87 FFAR2 (0.61) FFAR2ADRB2MEN1KMT2ALMNA
SCHEMBL10607697 0.85 FFAR2 (0.59) FFAR2ADRB2MEN1KMT2ALMNA
SCHEMBL2423106 0.85 FFAR2 (0.64) FFAR2MEN1KMT2ALMNA
SCHEMBL10699082 0.83 KMT2A (0.55) MEN1KMT2ALMNA
SCHEMBL23027132 0.82 FFAR2 (0.56) FFAR2MEN1KMT2ALMNA
SCHEMBL11396318 0.82 AKR1C3 (0.51) MEN1KMT2ALMNA
SCHEMBL10867395 0.82 FFAR2 (0.56) FFAR2MEN1KMT2ALMNA
SCHEMBL11062117 0.82 FFAR2 (0.56) FFAR2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985365-A WITH AN ESTERASE FROM A MICROORGANISM, ASSYMETRIC HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1991-01-15 US disclosed
EP-0118163-B1 METHOD FOR BIOTECHNOLOGICALLY PREPARING OPTICALLY ACTIVE ALPHA-CYANO-3-PHENOXYBENZYL ALCOHOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-20 EP disclosed
EP-0080827-B1 METHOD FOR BIOTECHNOLOGICALLY PREPARING (S)-(-)-ALPHA-CYANO-3-PHENOXYBENZYL ALCOHOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-09 EP disclosed
EP-0118163-A1 Method for biotechnologically preparing optically active alpha-cyano-3-phenoxybenzyl alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-09-12 EP disclosed
EP-0080827-A2 Method for biotechnologically preparing (S)-(-)-alpha-cyano-3-phenoxybenzyl alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-06-08 EP disclosed