SCHEMBL7794003

SCHEMBL7794003

CC(=CC(=O)O)c1ccc2c(c1)C(C)(c1ccc3c(c1)C(C)(C)CCC3(C)C)CO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.52
RARG P13631 12/20 0.52
RARA P10276 12/20 0.52
RARB P10826 11/20 0.52
RXRG P48443 9/20 0.48
RXRB P28702 7/20 0.48
CYP26A1 O43174 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
GMNN O75496 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7793999 1.00 RXRA (0.52) RXRARARGRARARARBRXRG
SCHEMBL7794000 1.00 RXRA (0.52) RXRARARGRARARARBRXRG
SCHEMBL7799798 0.89 RARG (0.48) RXRARARGRARARARBRXRG
SCHEMBL7802962 0.89 RARG (0.48) RXRARARGRARARARBRXRG
SCHEMBL6730217 0.87 RXRA (0.57) RXRARARGRARARARBRXRG
SCHEMBL7799673 0.87 RXRA (0.50) RXRARARGRARARARBRXRG
SCHEMBL8183716 0.82 RXRA (0.66) RXRARARGRARARARBRXRG
SCHEMBL6958780 0.82 RXRA (0.66) RXRARARGRARARARBRXRG
SCHEMBL7876468 0.82 RXRA (0.66) RXRARARGRARARARBRXRG
SCHEMBL6734636 0.81 CYP3A4 (0.51) RXRARARGRARARARBRXRG

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 claimed
US-6030952-A AS HUMAN AND VETERINARY MEDICINE, PARTICULARLY IN THE TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGIC CONDITIONS, AND IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIOUES GALDERMA (FR) 2000-02-29 US claimed
US-6030952-A AS HUMAN AND VETERINARY MEDICINE, PARTICULARLY IN THE TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGIC CONDITIONS, AND IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIOUES GALDERMA (FR) 2000-02-29 US disclosed