SCHEMBL4781632

SCHEMBL4781632

CC(C)N1C(=O)C(C)(C)c2ccc(C(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.50
RARB P10826 4/20 0.50
RARG P13631 4/20 0.50
SLC9A1 P19634 2/20 0.43
LMNA P02545 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CYP26A1 O43174 1/20 0.38
CYP3A4 P08684 1/20 0.38
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
MYC P01106 2/20 0.38
HCAR3 P49019 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
MARK3 P27448 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
SCHEMBL24885447 0.85 ALDH1A1 (0.43) RARARARBRARGSLC9A1LMNA
SCHEMBL9142318 0.80 LMNA (0.46) RARARARBRARGLMNARXRA
SCHEMBL15577372 0.77 PGR (0.41) RARARARBRARGCYP3A4MARK3
SCHEMBL31559289 0.77 PGR (0.41) RARARARBRARGCYP3A4MARK3
SCHEMBL15577510 0.77 CYP19A1 (0.38) RARARARBRARGSLC9A1LMNA
SCHEMBL17254692 0.77 PGR (0.40) RARARARBRARGMARK3
SCHEMBL4781663 0.77 POLB (0.50) RARALMNACYP26A1CYP3A4CPT2
SCHEMBL16322116 0.74 GAA (0.39) RARARARBRARGLMNARXRA
SCHEMBL16324015 0.73 BACE1 (0.45) SLC9A1MARK3
SCHEMBL31411806 0.72 ELANE (0.55) LMNACYP3A4CPT2CPT1ACPT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008017465-A1 BICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 WO claimed
WO-2008017465-A1 BICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 WO disclosed