SCHEMBL8259674

SCHEMBL8259674

CNCc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.54
RXRB P28702 2/20 0.54
RXRG P48443 2/20 0.54
CYP26A1 O43174 6/20 0.51
CYP26B1 Q9NR63 6/20 0.51
RARA P10276 2/20 0.43
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
PPARG P37231 3/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL2195316 0.81 RXRA (0.47) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL3176733 0.79 RXRA (0.54) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL2312146 0.77 RXRA (0.53) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL14286073 0.77 RXRA (0.53) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL12743622 0.77 RXRA (0.53) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL2095481 0.77 RXRA (0.57) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL1616186 0.77 RXRA (0.53) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL694638 0.77 RXRA (0.53) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL3546404 0.77 RXRA (0.53) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL6147914 0.76 RXRA (0.49) RXRARXRBRXRGCYP26A1CYP26B1

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-2006056607-A1 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 WO disclosed