SCHEMBL8330612

SCHEMBL8330612

CC1(C)CCC(C)(C)c2cc(C/C=C\CO)ccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.58
RARB P10826 3/20 0.58
RARG P13631 3/20 0.58
RXRA P19793 8/20 0.49
RXRB P28702 5/20 0.49
RXRG P48443 4/20 0.49
CYP26A1 O43174 7/20 0.47
CYP26B1 Q9NR63 7/20 0.47
PPARG P37231 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8332964 0.80 CYP26A1 (0.46) RARARARBRARGRXRARXRB
SCHEMBL8328531 0.80 RARA (0.44) RARARARBRARGRXRARXRB
SCHEMBL8559846 0.80 RARA (0.40) RARARARBRARGRXRARXRB
SCHEMBL4440994 0.80 RARA (0.56) RARARARBRARGRXRARXRB
SCHEMBL2095481 0.79 RXRA (0.57) RARARARBRARGRXRARXRB
SCHEMBL11648365 0.78 RARA (0.51) RARARARBRARGRXRARXRB
SCHEMBL6431035 0.78 RARA (0.51) RARARARBRARGRXRARXRB
SCHEMBL4365965 0.76 CYP26B1 (0.55) RARARARBRARGRXRARXRB
SCHEMBL14286073 0.75 RXRA (0.53) RARARARBRARGRXRARXRB
SCHEMBL8328559 0.75 RXRA (0.47) RARARARBRARGRXRARXRB

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