SCHEMBL7802944

SCHEMBL7802944

CC1(C)CCCc2cc(C(=O)COc3ccc(C(=O)O)cc3I)c(Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
CYP26A1 O43174 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP26B1 Q9NR63 2/20 0.43
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
HNF4A P41235 3/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM1A O60341 1/20 0.35

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
SCHEMBL8086349 0.91 CYP3A4 (0.45) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL7799981 0.91 RXRA (0.51) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL7802940 0.86 CYP26A1 (0.53) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL8099280 0.82 RXRA (0.43) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL7801863 0.81 RXRA (0.48) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL7802063 0.78 RXRA (0.54) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL8101865 0.77 CYP3A4 (0.54) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL8092497 0.75 CYP26A1 (0.70) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL8099423 0.71 CYP3A4 (0.43) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL9551744 0.70 RXRA (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882033-B1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CT INTERNAT DE RECH S (FR) 2001-08-16 EP disclosed
EP-0882033-A1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-12-09 EP disclosed
WO-1998024778-A1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-06-11 WO disclosed