SCHEMBL7843636

SCHEMBL7843636

CC(/C=C/C1=C(c2cc3c(cc2C)C(C)(C)OC3(C)C)CCCC1)=C\C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.77
RARB P10826 9/20 0.53
RARG P13631 7/20 0.53
RXRB P28702 8/20 0.42
RXRG P48443 8/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
RARA P10276 4/20 0.38
PTGS1 P23219 3/20 0.38
RORC P51449 2/20 0.38
CYP3A4 P08684 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
MAPK1 P28482 2/20 0.38
HTR2B P41595 2/20 0.38
BLM P54132 2/20 0.38
HIF1A Q16665 2/20 0.38
NR4A1 P22736 1/20 0.38

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
SCHEMBL8197246 1.00 RXRA (0.77) RXRARARBRARGRXRBRXRG
SCHEMBL8197234 0.89 RXRA (0.96) RXRARARBRARGRXRBRXRG
SCHEMBL8197238 0.89 RXRA (0.96) RXRARARBRARGRXRBRXRG
SCHEMBL7841661 0.87 RXRA (1.00) RXRARARBRARGRXRBRXRG
SCHEMBL7841660 0.87 RXRA (1.00) RXRARARBRARGRXRBRXRG
SCHEMBL7840972 0.83 RXRA (0.72) RXRARARBRARGRXRBRXRG
SCHEMBL7840978 0.83 RXRA (0.72) RXRARARBRARGRXRBRXRG
SCHEMBL7840977 0.83 RXRA (0.72) RXRARARBRARGRXRBRXRG
SCHEMBL8189608 0.76 RXRA (0.73) RXRARARBRARGRXRBRXRG
SCHEMBL8198158 0.75 RXRA (0.72) RXRARARBRARGRXRBRXRG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718285-B1 Restricted 9-cis-retinoids AMERICAN CYANAMID CO (US) 2001-04-11 EP disclosed
EP-0997455-A1 Restricted 9-cis retenoids American Cyanamid Company (US) 2000-05-03 EP disclosed
US-5968908-A Restricted 9-cis retinoids AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
EP-0718285-A2 Restricted 9-cis-retinoids American Cyanamid Company (US) 1996-06-26 EP disclosed