SCHEMBL9360554

SCHEMBL9360554

CC1(C)CCC(C)(C)c2cc(COc3csc(C(=O)O)c3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.50
RXRB P28702 5/20 0.50
RXRG P48443 5/20 0.50
PPARG P37231 3/20 0.47
CYP26A1 O43174 8/20 0.46
CYP26B1 Q9NR63 6/20 0.46
CYP3A4 P08684 5/20 0.46
RARB P10826 7/20 0.44
RARG P13631 6/20 0.44
RARA P10276 4/20 0.44

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
SCHEMBL8676840 0.81 RXRB (0.71) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL9275250 0.79 RXRB (0.53) RXRARXRBRXRGPPARGCYP26A1
SCHEMBL8907781 0.78 MAOB (0.53) RXRARXRBRXRGPPARGCYP26A1
SCHEMBL14286080 0.77 CYP26B1 (0.72) PPARGCYP26A1CYP26B1CYP3A4
SCHEMBL8674842 0.76 RXRA (0.68) RXRARXRBRXRGPPARGCYP26A1
SCHEMBL9194990 0.75 RARG (0.52) RXRARXRBRXRGPPARGCYP26A1
SCHEMBL9507898 0.75 PPARG (0.50) RXRARXRBRXRGPPARGCYP26A1
SCHEMBL9274012 0.74 KDM4E (0.53) RXRARXRBRXRGPPARGCYP26A1
SCHEMBL9510316 0.74 RXRB (0.60) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL9350317 0.73 RXRA (0.50) RXRARXRBRXRGPPARGCYP26A1

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-0465343-B1 Pharmaceutical or cosmetical composition comprising a retinoid and a sterol in association CIRD GALDERMA (FR) 1994-06-15 EP claimed