SCHEMBL8328531

SCHEMBL8328531

CC1(C)CCSc2ccc(C/C=C\CO)cc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.44
RARB P10826 10/20 0.44
RARG P13631 10/20 0.44
RXRA P19793 7/20 0.44
SSTR5 P35346 1/20 0.40
CYP3A4 P08684 3/20 0.38
CYP26A1 O43174 3/20 0.38
KMT2A Q03164 1/20 0.37
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
CYP26B1 Q9NR63 2/20 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
SCHEMBL6017426 0.83 RARA (0.47) RARARARBRARGRXRASSTR5
SCHEMBL7935617 0.83 RARA (0.49) RARARARBRARGRXRASSTR5
SCHEMBL8330612 0.80 RARA (0.58) RARARARBRARGRXRACYP3A4
SCHEMBL18785164 0.78 RARA (0.44) RARARARBRARGRXRASSTR5
SCHEMBL7932915 0.77 RARA (0.43) RARARARBRARGRXRASSTR5
SCHEMBL7224461 0.76 RARA (0.47) RARARARBRARGRXRASSTR5
SCHEMBL6146438 0.75 RARA (0.51) RARARARBRARGRXRASSTR5
SCHEMBL8703833 0.74 RARA (0.55) RARARARBRARGRXRASSTR5
SCHEMBL8332964 0.73 CYP26A1 (0.46) RARARARBRARGRXRASSTR5
SCHEMBL7571412 0.73 RARA (0.61) RARARARBRARGRXRASSTR5

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