SCHEMBL9129161

SCHEMBL9129161

CC1CCC(C(C)C)C(C(N)=O)(C2(C(N)=O)CC(C)CCC2C(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
HSD11B1 P28845 4/20 0.31
TRPV1 Q8NER1 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1660486 0.86 EPHX1 (0.33) EPHX1HSD11B1
SCHEMBL1659529 0.86 EPHX1 (0.33) EPHX1HSD11B1
SCHEMBL1660502 0.86 EPHX1 (0.33) EPHX1HSD11B1
SCHEMBL1660634 0.86 EPHX1 (0.33) EPHX1HSD11B1
SCHEMBL1659602 0.86 EPHX1 (0.33) EPHX1HSD11B1
SCHEMBL1659536 0.86 EPHX1 (0.33) EPHX1HSD11B1
SCHEMBL1659518 0.86 EPHX1 (0.33) EPHX1HSD11B1
SCHEMBL1659513 0.86 EPHX1 (0.33) EPHX1HSD11B1
SCHEMBL305653 0.80 EPHX1 (0.39) EPHX1HSD11B1TRPV1
SCHEMBL2313131 0.80 EPHX1 (0.39) EPHX1HSD11B1TRPV1

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
US-5432251-A Acrylamide derivatives; use as polymeric adsorbent in separation of racemic mixtures into their optical antipodes BAYER AKTIENGESELLSCHAFT (DE) 1995-07-11 US disclosed