SCHEMBL7840978

SCHEMBL7840978

CC(C=CC1=C(c2ccc3c(c2)C(C)(C)OC3(C)C)CCCC1)=CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.72
RARB P10826 8/20 0.72
RARG P13631 6/20 0.72
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
RXRG P48443 7/20 0.38
RXRB P28702 5/20 0.38
RARA P10276 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL7840977 1.00 RXRA (0.72) RXRARARBRARGKDM4EALDH1A1
SCHEMBL7840972 1.00 RXRA (0.72) RXRARARBRARGKDM4EALDH1A1
SCHEMBL4879231 0.86 RXRA (0.96) RXRARARBRARGRXRGRXRB
SCHEMBL4879243 0.86 RXRA (0.96) RXRARARBRARGRXRGRXRB
SCHEMBL8359441 0.85 RXRA (0.94) RXRARARBRARGRXRGRXRB
SCHEMBL8359437 0.85 RXRA (0.94) RXRARARBRARGRXRGRXRB
SCHEMBL8674942 0.85 RXRA (0.94) RXRARARBRARGRXRGRXRB
SCHEMBL8197218 0.83 RXRA (1.00) RXRARARBRARGRXRGRXRB
SCHEMBL8197354 0.83 RXRA (1.00) RXRARARBRARGRXRGRXRB
SCHEMBL7843636 0.83 RXRA (0.77) RXRARARBRARGKDM4EALDH1A1

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