SCHEMBL8333554

SCHEMBL8333554

CC1(C)CCOc2ccc(C3[CH]CCC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.41
RARB P10826 5/20 0.41
RARG P13631 5/20 0.41
RXRA P19793 2/20 0.36
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
MAP3K14 Q99558 1/20 0.35
SSTR5 P35346 2/20 0.32
HNF4A P41235 1/20 0.32
AKR1B1 P15121 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8332049 0.97 RARA (0.41) RARARARBRARGRXRACYP26A1
SCHEMBL8330971 0.83 MAP3K14 (0.31) MAP3K14
SCHEMBL8331567 0.82 MAP3K14 (0.30) MAP3K14
SCHEMBL8331366 0.80 RXRA (0.40) RARARARBRARGRXRA
SCHEMBL8329471 0.77 RXRA (0.40) RARARARBRARGRXRA
SCHEMBL9054043 0.74 RARA (0.44) RARARARBRARGRXRACYP26A1
SCHEMBL8330968 0.74 RARB (0.42) RARARARBRARGRXRACYP26A1
SCHEMBL8328191 0.73 RARB (0.41) RARARARBRARG
SCHEMBL7870688 0.72 RARB (0.41) RARARARBRARGRXRACYP26A1
SCHEMBL8331565 0.71 RARB (0.42) RARARARBRARGRXRACYP26A1

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