SCHEMBL7752273

SCHEMBL7752273

[C]#CCc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49
CYP26A1 O43174 8/20 0.47
CYP26B1 Q9NR63 8/20 0.47
PPARG P37231 4/20 0.43
RARA P10276 3/20 0.42
RARB P10826 3/20 0.42
RARG P13631 3/20 0.42
CYP3A4 P08684 2/20 0.39
CRABP2 P29373 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
SCHEMBL7709238 0.82 RXRA (0.49) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL3546404 0.76 RXRA (0.53) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL2312146 0.76 RXRA (0.53) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL14286073 0.76 RXRA (0.53) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL1616186 0.76 RXRA (0.53) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL12743622 0.76 RXRA (0.53) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL7746459 0.74 CYP26A1 (0.46) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL2897524 0.74 CYP26B1 (0.53) RXRARXRBRXRGCYP26A1CYP26B1
Methyl Alcohol SCHEMBL7752255 0.73 CYP26A1 (0.48) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL16998630 0.73 CYP26B1 (0.51) 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
EP-0832057-B1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CT INTERNAT DE (FR) 2001-01-03 EP disclosed