SCHEMBL7900543

SCHEMBL7900543

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.42
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NAAA Q02083 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1297075 1.00 EPHX2 (0.53) EPHX2ALDH1A1ATMTSHRHPGD
SCHEMBL1297197 0.96 EPHX2 (0.51) EPHX2ALDH1A1ATMTSHRHPGD
SCHEMBL1297824 0.96 EPHX2 (0.57) EPHX2ALDH1A1ATMTSHRHCAR2
SCHEMBL1296584 0.95 EPHX2 (0.56) EPHX2ALDH1A1TSHRHCAR2NAAA
SCHEMBL1296213 0.95 EPHX2 (0.56) EPHX2ALDH1A1TSHRHCAR2NAAA
SCHEMBL1296628 0.95 EPHX2 (0.56) EPHX2ALDH1A1TSHRHCAR2NAAA
SCHEMBL1297313 0.95 EPHX2 (0.56) EPHX2ALDH1A1TSHRHCAR2NAAA
SCHEMBL1297307 0.95 EPHX2 (0.50) EPHX2ALDH1A1ATMHPGDMEN1
SCHEMBL1296831 0.95 EPHX2 (0.56) EPHX2ALDH1A1TSHRHCAR2NAAA
SCHEMBL1297290 0.95 EPHX2 (0.56) EPHX2ALDH1A1TSHRHCAR2NAAA

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