SCHEMBL9771979

SCHEMBL9771979

CC(=O)O[C@H](CCl)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.41
▸ STAT3 P40763 2/20 0.40
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ YAP1 P46937 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ ENPP3 O14638 2/20 0.36
▸ ENPP1 P22413 2/20 0.36
▸ ENPP2 Q13822 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MME P08473 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL5471181 1.00 AR (0.41) ARSTAT3LMNAMAPK1DHODH
SCHEMBL5475793 1.00 AR (0.41) ARSTAT3LMNAMAPK1DHODH
SCHEMBL8423991 0.91 STAT3 (0.44) STAT3LMNAMAPK1DHODHKMT2A
SCHEMBL9771994 0.87 AR (0.41) ARLMNAMAPK1ALDH1A1
SCHEMBL5473721 0.87 STAT3 (0.41) STAT3LMNAMAPK1DHODHKMT2A
SCHEMBL9772011 0.87 AR (0.41) ARLMNAMAPK1ALDH1A1
SCHEMBL5473718 0.87 STAT3 (0.41) STAT3LMNAMAPK1DHODHKMT2A
SCHEMBL5473716 0.87 STAT3 (0.41) STAT3LMNAMAPK1DHODHKMT2A
SCHEMBL9691605 0.86 STAT3 (0.39) STAT3LMNAMAPK1DHODHKMT2A
SCHEMBL9691621 0.86 STAT3 (0.39) STAT3LMNAMAPK1DHODHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032523-A Preparation of optically active esters LION CORPORATION (JP) 1991-07-16 — — US disclosed
EP-0189878-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCEROL DERIVATES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-07-10 — — EP disclosed
US-4863859-A BIOCHEMICAL RESOLUTION USING AN ESTERASE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-09-05 — — US disclosed
EP-0189878-A2 Process for preparing optically active glycerol derivates KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-08-06 — — EP disclosed
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