SCHEMBL4665667

SCHEMBL4665667

CC12CCC(c3c1[nH]n(-c1ccccc1)c3=O)C2(C)C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.55
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4367348 1.00 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL15151349 1.00 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL15151353 1.00 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL4370589 1.00 HSD11B1 (0.55) HSD11B1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL4368782 0.88 HSD11B1 (0.56) HSD11B1CYP3A4SMN1; SMN2
SCHEMBL4367498 0.88 SMN1; SMN2 (0.46) HSD11B1CYP3A4SMN1; SMN2
SCHEMBL4366452 0.87 HSD11B1 (0.46) HSD11B1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL4363332 0.87 HSD11B1 (0.44) HSD11B1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL4363453 0.86 HSD11B1 (0.44) HSD11B1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL4376905 0.86 HSD11B1 (0.60) HSD11B1CYP3A4ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-4720487-A Bornane derivatives, their preparation and therapeutic compositions containing the same SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1988-01-19 US disclosed