SCHEMBL8657242

SCHEMBL8657242

CCOC(=O)c1csc(-c2ccc3cc4c(cc3c2)C(C)(C)CCC4(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.50
RARB P10826 9/20 0.50
RARG P13631 5/20 0.50
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
RXRA P19793 2/20 0.38
PDK2 Q15119 1/20 0.38
CYP26A1 O43174 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 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
SCHEMBL29358183 0.83 RARB (0.67) RARARARBRARGRXRACYP26A1
SCHEMBL9047784 0.83 RARB (0.67) RARARARBRARGRXRAPDK2
SCHEMBL8656647 0.83 RARB (0.67) RARARARBRARGRXRACYP26A1
SCHEMBL8690917 0.80 MEN1 (0.55) RARARARBRARGKMT2AKDM4E
SCHEMBL8690840 0.78 RARB (0.51) RARARARBRARGKMT2AKDM4E
SCHEMBL10959462 0.78 RARA (0.68) RARARARBRARGRXRACYP26A1
SCHEMBL8659260 0.77 RARA (0.54) RARARARBRARGKMT2ANPC1
SCHEMBL8692871 0.76 MEN1 (0.40) RARARARBRARGKMT2AKDM4E
SCHEMBL8692906 0.75 RARB (0.41) RARARARBRARGKMT2AKDM4E
SCHEMBL9051570 0.74 RARB (0.56) RARARARBRARGRXRAPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658553-B1 Polycyclic aromatic compounds, pharmaceutical and cosmetic compositions containing them and uses thereof CIRD GALDERMA (FR) 1998-11-04 EP claimed
US-5723499-A Polycyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof C.I.R.D. GALDERMA (FR) 1998-03-03 US claimed
US-5723499-A Polycyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof C.I.R.D. GALDERMA (FR) 1998-03-03 US disclosed