SCHEMBL7799775

SCHEMBL7799775

C=C(CBr)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.55
RARB P10826 12/20 0.55
RARG P13631 11/20 0.55
RARA P10276 9/20 0.55
RXRB P28702 8/20 0.55
RXRG P48443 6/20 0.55
CYP26A1 O43174 5/20 0.47
CYP26B1 Q9NR63 2/20 0.47
CYP3A4 P08684 5/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43

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
SCHEMBL12517377 0.90 RXRA (0.44) RXRARARBRARGRARARXRB
SCHEMBL7799795 0.85 RARB (0.56) RXRARARBRARGRARARXRB
SCHEMBL12517137 0.83 RARB (0.55) RXRARARBRARGRARARXRB
SCHEMBL12517113 0.81 RXRA (0.48) RXRARARBRARGRARARXRB
SCHEMBL12517363 0.81 RARB (0.52) RXRARARBRARGRARARXRB
SCHEMBL12517380 0.80 RXRA (0.47) RXRARARBRARGRARARXRB
SCHEMBL1550094 0.80 CYP3A4 (0.59) RXRARARBRARGRARARXRB
SCHEMBL3301372 0.79 RARB (0.61) RXRARARBRARGRARARXRB
SCHEMBL12515953 0.79 RARB (0.66) RXRARARBRARGRARARXRB
SCHEMBL12517022 0.77 RXRA (0.52) RXRARARBRARGRARARXRB

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 2 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
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