SCHEMBL8707221

SCHEMBL8707221

CC1(C)CCSc2ccc(C3(c4ccc(C(=O)O)cc4)SCCCS3)cc21

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 9/20 0.74
▸ CYP26A1 O43174 5/20 0.66
▸ CYP26B1 Q9NR63 5/20 0.66
▸ RARA P10276 8/20 0.58
▸ RARB P10826 8/20 0.58
▸ RARG P13631 8/20 0.58
▸ CYP3A4 P08684 2/20 0.51
▸ RXRB P28702 2/20 0.47
▸ SSTR5 P35346 1/20 0.45

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
SCHEMBL8708590 0.87 RARA (0.61) RXRACYP26A1CYP26B1RARARARB
SCHEMBL5894384 0.85 RXRA (1.00) RXRACYP26A1CYP26B1RARARARB
SCHEMBL8101908 0.82 RARB (0.72) RXRACYP26A1CYP26B1RARARARB
SCHEMBL2808583 0.80 RXRA (1.00) RXRACYP26A1CYP26B1RARARARB
SCHEMBL10565430 0.80 RARB (0.70) RXRACYP26A1CYP26B1RARARARB
SCHEMBL27324962 0.80 RARB (0.66) RXRACYP26A1RARARARBRARG
SCHEMBL8706853 0.79 RXRA (0.71) RXRACYP26A1CYP26B1RARARARB
SCHEMBL10976930 0.77 RARB (0.76) RXRACYP26A1RARARARBRARG
SCHEMBL8461871 0.77 RARB (0.62) RXRACYP26A1CYP26B1RARARARB
SCHEMBL10976941 0.77 RARB (0.76) RXRACYP26A1RARARARBRARG

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-5837725-A Bridged bicyclic aromatic compounds and their use in modulating gene expression of retinoid receptors SRI INTERNATIONAL (US) 1998-11-17 — — US disclosed
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