SCHEMBL9185396

SCHEMBL9185396

C/C=C/C(=O)O[C@H]1CC[C@H](C(=O)O[C@H]2CC[C@H](CC)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 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
SCHEMBL9184402 0.96 CYP19A1 (0.36) CYP19A1
SCHEMBL8624341 0.89 NAAA (0.33)
SCHEMBL8624148 0.86 NAAA (0.42) MEN1KMT2AGAA
SCHEMBL8622084 0.85 TLR4 (0.33)
SCHEMBL8619409 0.85 PKM (0.40) MEN1KMT2AGAA
SCHEMBL8619547 0.84 HTT (0.41) MEN1KMT2AGAA
SCHEMBL8617899 0.84 HTT (0.41) MEN1KMT2AGAA
SCHEMBL8619229 0.83 CYP19A1 (0.33) CYP19A1
SCHEMBL8617373 0.83 NAAA (0.40) MEN1KMT2AGAA
SCHEMBL8621538 0.82 PKM (0.38) MEN1KMT2AGAA

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-5380462-A Cyclohexyl alkenoate compounds HOFFMANN-LA ROCHE INC. (US) 1995-01-10 US disclosed