SCHEMBL8690673

SCHEMBL8690673

COC(=O)c1ccc(-c2ccc3cc4c(cc3c2)C(C)(C)CCC4(C)C)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 8/20 0.55
RARB P10826 7/20 0.55
RARA P10276 5/20 0.55
PDK2 Q15119 1/20 0.50
RXRA P19793 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
SLC6A2 P23975 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP26A1 O43174 3/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL8660116 0.86 RARB (0.56) RARGRARBRARAPDK2RXRA
SCHEMBL8656889 0.86 RARG (0.67) RARGRARBRARAPDK2RXRA
SCHEMBL8688231 0.85 RARG (0.55) RARGRARBRARARXRASLC6A4
SCHEMBL8693295 0.80 RARG (0.50) RARGRARBRARARXRASLC6A4
SCHEMBL2884923 0.79 PDK2 (0.57) PDK2SLC6A4SLC6A3SLC6A2KDM4E
SCHEMBL17327789 0.79 RARB (0.56) RARGRARBRARARXRASLC6A4
SCHEMBL8688418 0.78 RARA (0.47) RARGRARBRARARXRACYP3A4
SCHEMBL8661405 0.77 RARB (0.54) RARGRARBRARARXRASLC6A4
SCHEMBL8690609 0.77 RARA (0.54) RARGRARBRARASLC6A4SLC6A3
SCHEMBL6379832 0.76 RARG (0.64) RARGRARBRARARXRACYP26A1

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-5723499-A Polycyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof C.I.R.D. GALDERMA (FR) 1998-03-03 US disclosed