SCHEMBL8909355

SCHEMBL8909355

O=C(O)c1c(O)cc(C23CC4CC(CC(C4)C2)C3)cc1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
MCL1 Q07820 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
MAPT P10636 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
RARA P10276 3/20 0.37
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
SERPINE1 P05121 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL8911209 0.84 RARA (0.41) MEN1KMT2ARARARARBRARG
SCHEMBL28425561 0.73 CA12 (0.57) MEN1KMT2APOLBGAAMCL1
SCHEMBL3976009 0.73 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL17323573 0.70 MEN1 (0.45) MEN1KMT2AMAPTCYP2C19RARA
SCHEMBL10783918 0.69 MEN1 (0.57) MEN1KMT2AMCL1ACMSDCYP2C19
SCHEMBL28589092 0.69 MEN1 (0.53) MEN1KMT2APOLBMCL1ACMSD
SCHEMBL18155724 0.68 RARB (0.44) MEN1KMT2APOLBGAAGFER
SCHEMBL7165307 0.67 ERN1 (0.43) MEN1KMT2AMCL1ACMSDMAPT
SCHEMBL3971743 0.67 MCL1 (0.37) MEN1KMT2APOLBGAAGFER
SCHEMBL21038145 0.67 CHRNA1 (0.38) MEN1KMT2AMCL1ACMSDCYP2C19

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-5686586-A Polycyclic aromatic derivatives, process for preparing the same and pharmaceutical and cosmetic compositions containing the same CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1997-11-11 US disclosed