SCHEMBL7910489

SCHEMBL7910489

CCCCOC(=O)[C@@H]1CCC[C@H](C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 1/20 0.40
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
S1PR5 Q9H228 3/20 0.38
ATM Q13315 1/20 0.38
BTK Q06187 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
PPARG P37231 3/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PPP5C P53041 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
SCHEMBL1297076 1.00 EPHX2 (0.49) EPHX2ALDH1A1PPM1BPTPN1PPP1CC
Ethylene Glycol SCHEMBL1296766 0.95 EPHX2 (0.46) EPHX2ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL1297860 0.95 EPHX2 (0.54) EPHX2PPM1BPTPN1PPP1CCS1PR5
SCHEMBL28467955 0.94 EPHX2 (0.53) EPHX2S1PR5HCAR2PPARGTSHR
SCHEMBL19356852 0.94 EPHX2 (0.53) EPHX2S1PR5HCAR2PPARGTSHR
SCHEMBL1297287 0.94 EPHX2 (0.53) EPHX2S1PR5HCAR2PPARGTSHR
SCHEMBL1297778 0.94 EPHX2 (0.53) EPHX2S1PR5HCAR2PPARGTSHR
SCHEMBL1296618 0.94 EPHX2 (0.53) EPHX2S1PR5HCAR2PPARGTSHR
SCHEMBL5366260 0.94 EPHX2 (0.53) EPHX2S1PR5HCAR2PPARGTSHR
SCHEMBL1296624 0.94 EPHX2 (0.53) EPHX2S1PR5HCAR2PPARGTSHR

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-6210956-B1 USED AS CHIRAL PRECURSORS FOR NON-NATURALLY OCCURING AMINO ACIDS AND POLYESTER; CONTACTING A 1,3-CYCLOHEXANEDICARBOXYLIC ACID DIESTER DERIVATIVE WITH A LIPASE CAPABLE OF CONVERTING IT UNDER AQUEOUS CONDITIONS EASTMAN CHEMICAL COMPANY 2001-04-03 US disclosed
US-6028213-A BY CONTACTING WITH A LIPASE UNDER AQUEOUS CONDITIONS TO ENANTIOSELECTIVELY PRODUCE THE ACTIVATOR EASTMAN CHEMICAL COMPANY (US) 2000-02-22 US disclosed