SCHEMBL8328559

SCHEMBL8328559

Cc1cc2c(cc1C/C=C\CO)C(C)(C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.47
RXRG P48443 10/20 0.40
RXRB P28702 9/20 0.40
RARG P13631 7/20 0.38
RARB P10826 5/20 0.38
RARA P10276 4/20 0.38
GNRHR P30968 4/20 0.38
MEN1 O00255 1/20 0.36
CYP26A1 O43174 1/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
PGR P06401 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL9124020 0.77 RXRA (0.50) RXRARXRGRXRBRARGRARB
SCHEMBL8200207 0.77 RARG (0.52) RXRARXRGRXRBRARGRARB
SCHEMBL8200200 0.77 RARG (0.52) RXRARXRGRXRBRARGRARB
SCHEMBL8330612 0.75 RARA (0.58) RXRARXRGRXRBRARGRARB
SCHEMBL22001266 0.74 RXRA (0.54) RXRARXRGRXRBRARGRARB
SCHEMBL8529655 0.73 RXRA (0.49) RXRARXRGRXRBRARGRARB
SCHEMBL7931914 0.73 RXRA (0.49) RXRARXRGRXRBRARGRARB
SCHEMBL7622765 0.71 RXRA (0.48) RXRARXRGRXRBRARGRARB
SCHEMBL9626984 0.70 RXRA (0.47) RXRARXRGRXRBRARGRARB
SCHEMBL7568695 0.69 RXRA (0.53) RXRARXRGRXRBRARGRARB

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
US-5917082-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN SALES, INC. (US) 1999-06-29 US disclosed
US-5817836-A 2,4-pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN (US) 1998-10-06 US disclosed
US-5780647-A 2,4-Pentadienoic acid derivatives having retinoid-like biological activity ALLERGAN (US) 1998-07-14 US disclosed
US-5675033-A FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-10-07 US disclosed