SCHEMBL9053292

SCHEMBL9053292

O=C1CCC[C@]12CCC[C@H]2O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 2/20 0.31

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
SCHEMBL9052184 1.00 MEN1 (0.32) MEN1ALDH1A1CYP3A4KMT2ACYP19A1
SCHEMBL29328923 0.84 MEN1 (0.40) MEN1ALDH1A1CYP3A4KMT2ACYP19A1
SCHEMBL29328971 0.79
SCHEMBL25650007 0.70
SCHEMBL7149090 0.68 LMNA (0.31) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL1681776 0.68 LMNA (0.31) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL5818626 0.68 LMNA (0.33)
SCHEMBL30148899 0.67 KDM1A (0.33)
SCHEMBL30198804 0.67 MEN1 (0.33) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL10738039 0.67 MEN1 (0.36) MEN1ALDH1A1CYP3A4KMT2ACYP19A1

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
WO-1996039443-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INC. (US) 1996-12-12 WO disclosed