SCHEMBL8660116

SCHEMBL8660116

COC(=O)c1ccc(-c2ccc3cc4c(cc3c2)C(C)(C)CCC4(C)C)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.56
RARG P13631 5/20 0.56
RARA P10276 4/20 0.56
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GAA P10253 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP3A4 P08684 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXRA P19793 2/20 0.41
MYC P01106 1/20 0.40
CYP26A1 O43174 2/20 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
SCHEMBL17327789 0.88 RARB (0.56) RARBRARGRARASLC6A2SLC6A4
SCHEMBL8690673 0.86 RARG (0.55) RARBRARGRARAPDK2SLC6A2
SCHEMBL8688231 0.86 RARG (0.55) RARBRARGRARASLC6A2SLC6A4
SCHEMBL2914641 0.85 RARB (0.68) RARBRARGRARARXRACYP26A1
SCHEMBL8693295 0.81 RARG (0.50) RARBRARGRARASLC6A2SLC6A4
SCHEMBL7932561 0.79 MEN1 (0.64) RARBRARGRARACA12CA1
SCHEMBL8688418 0.79 RARA (0.47) RARBRARGRARACYP3A4RXRA
SCHEMBL8200161 0.78 CA12 (0.71) CA12CA1CA2CA7PDK2
SCHEMBL8661405 0.78 RARB (0.54) RARBRARGRARASLC6A4SLC6A3
SCHEMBL8690609 0.78 RARA (0.54) RARBRARGRARASLC6A2SLC6A4

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