SCHEMBL7760199

SCHEMBL7760199

C=C(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccccc1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.56
RARB P10826 11/20 0.56
RARG P13631 10/20 0.56
RXRB P28702 7/20 0.56
RARA P10276 6/20 0.56
RXRG P48443 5/20 0.56
CYP26A1 O43174 2/20 0.47
RECQL P46063 2/20 0.47
BLM P54132 2/20 0.47
MEN1 O00255 1/20 0.47
ABCB11 O95342 1/20 0.47
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL7756637 0.83 RXRA (0.58) RXRARARBRARGRXRBRARA
SCHEMBL7761323 0.83 RXRA (0.57) RXRARARBRARGRXRBRARA
SCHEMBL7761577 0.82 RXRA (0.70) RXRARARBRARGRXRBRARA
SCHEMBL7756615 0.80 RXRA (0.77) RXRARARBRARGRXRBRARA
SCHEMBL7897272 0.80 RXRA (0.56) RXRARARBRARGRXRBRARA
SCHEMBL7896396 0.79 RXRA (0.58) RXRARARBRARGRXRBRARA
SCHEMBL7761216 0.75 CYP26A1 (0.57) RXRARARBRARGRXRBRARA
SCHEMBL7761212 0.75 CYP26A1 (0.57) RXRARARBRARGRXRBRARA
SCHEMBL7756544 0.74 RXRA (0.59) RXRARARBRARGRXRBRARA
SCHEMBL7898074 0.74 RXRA (0.52) RXRARARBRARGRXRBRARA

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
US-6258775-B1 3-(3-(5,5,8,8-TETRAMATHYL-5,6,7,8-TETRAHYDRO-2-NAPHTYLCARBONYL )PHENYL)ACRYLIC ACID FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2001-07-10 US disclosed
EP-0915823-B1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CT INTERNAT DE (FR) 2001-04-18 EP disclosed