SCHEMBL9204828

SCHEMBL9204828

CCC(C)(C)NC(=O)N[C]=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2820709 0.81 EPHX1 (0.57) EPHX1HPGDL3MBTL1KDM4EKMT2A
SCHEMBL968277 0.77 NPC1 (0.36) EPHX1HPGDKDM4EKMT2AALDH1A1
SCHEMBL17975428 0.75 EPHX1 (0.52) EPHX1HPGDL3MBTL1KDM4EKMT2A
SCHEMBL16890324 0.75 EPHX1 (0.52) EPHX1HPGDL3MBTL1KDM4EKMT2A
SCHEMBL10071176 0.73 EPHX1 (0.60) EPHX1HPGDL3MBTL1KDM4EKMT2A
SCHEMBL11800970 0.73 EPHX1 (0.50) EPHX1HPGDL3MBTL1KDM4EKMT2A
SCHEMBL968781 0.72
SCHEMBL6338852 0.72
SCHEMBL2625566 0.71 EPHX1 (0.48) EPHX1HPGDL3MBTL1KDM4EKMT2A
SCHEMBL17975431 0.71 ALDH1A1 (0.55) EPHX1HPGDL3MBTL1KDM4EKMT2A

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
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed