SCHEMBL9822702

SCHEMBL9822702

CCS(=O)(=O)c1ccc(/C=C/C(=O)c2ccc3c(c2)C(C)(C)CC3(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.48
LMNA P02545 1/20 0.45
MAOB P27338 5/20 0.44
RARA P10276 2/20 0.43
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
PTGS2 P35354 2/20 0.42
MAOA P21397 1/20 0.41
SNCA P37840 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
TNFRSF1A P19438 1/20 0.40
F3 P13726 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL9822716 1.00 CYP26A1 (0.48) CYP26A1LMNAMAOBRARARARB
SCHEMBL4418785 0.83 RARB (0.63) CYP26A1LMNARARARARBRARG
SCHEMBL4418790 0.83 RARB (0.63) CYP26A1LMNARARARARBRARG
SCHEMBL9822438 0.82 CYP26A1 (0.60) CYP26A1LMNAMAOBRARARARB
SCHEMBL9822432 0.82 CYP26A1 (0.60) CYP26A1LMNAMAOBRARARARB
SCHEMBL31097606 0.81 RARG (0.57) CYP26A1LMNARARARARBRARG
SCHEMBL11163250 0.81 RARG (0.57) CYP26A1LMNARARARARBRARG
SCHEMBL10336031 0.81 CYP26A1 (0.43) CYP26A1LMNAMAOBRARARARB
SCHEMBL9822477 0.80 CYP26A1 (0.53) CYP26A1LMNAMAOBRARARARB
SCHEMBL9822473 0.80 CYP26A1 (0.53) CYP26A1LMNAMAOBRARARARB

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
EP-0297995-B1 POLYCYCLIC AROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND ANIMAL MEDICINE AND IN COSMETICS L'OREAL (FR) 1991-03-06 EP claimed