SCHEMBL10567353

SCHEMBL10567353

CC1(C)CCSc2ccc(-c3ccc(C(=O)O)c(CO)c3)cc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.47
RARG P13631 15/20 0.47
RARA P10276 14/20 0.47
RXRA P19793 5/20 0.47
CYP3A4 P08684 2/20 0.43
CYP26A1 O43174 1/20 0.43
PDE4D Q08499 1/20 0.39
SSTR5 P35346 1/20 0.39
KMT2A Q03164 1/20 0.38
DCLRE1A Q6PJP8 1/20 0.37
DCLRE1B Q9H816 1/20 0.37

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
SCHEMBL10566455 0.87 RARA (0.50) RARBRARGRARARXRACYP3A4
SCHEMBL10356134 0.82 RARG (0.64) RARBRARGRARARXRA
SCHEMBL9187716 0.81 RARG (0.56) RARBRARGRARARXRACYP3A4
SCHEMBL27324962 0.80 RARB (0.66) RARBRARGRARARXRACYP3A4
SCHEMBL7564650 0.77 PDK2 (0.45) RARBRARGRARARXRACYP3A4
SCHEMBL8101908 0.76 RARB (0.72) RARBRARGRARARXRACYP3A4
SCHEMBL10566458 0.76 RARG (0.47) RARBRARGRARARXRACYP3A4
SCHEMBL20636868 0.73 RARB (0.54) RARBRARGRARARXRACYP3A4
SCHEMBL2910869 0.73 RARB (0.59) RARBRARGRARARXRACYP3A4
SCHEMBL20636826 0.73 CYP3A4 (0.63) RARBRARGRARARXRACYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4829080-A SKIN DISORDERS, PSORIASIS, ACNE L'OREAL (FR) 1989-05-09 US disclosed