SCHEMBL8690609

SCHEMBL8690609

COC(=O)c1cc(-c2ccc3cc4c(cc3c2)C(C)(C)CCC4(C)C)c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.54
RARB P10826 9/20 0.54
RARG P13631 8/20 0.54
ALPL P05186 2/20 0.43
CYP3A4 P08684 3/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP26A1 O43174 3/20 0.38
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL8657948 0.86 RARB (0.65) RARARARBRARGCYP26A1CYP26B1
SCHEMBL8657950 0.79 RARG (0.59) RARARARBRARGCYP26A1CYP26B1
SCHEMBL8660116 0.78 RARB (0.56) RARARARBRARGCYP3A4CYP11B1
SCHEMBL8688231 0.77 RARG (0.55) RARARARBRARGCYP3A4CYP11B1
SCHEMBL8690673 0.77 RARG (0.55) RARARARBRARGCYP3A4CYP11B1
SCHEMBL8661405 0.76 RARB (0.54) RARARARBRARGCYP3A4CYP11B1
SCHEMBL12766140 0.75 CYP11B1 (0.50) ALPLCYP3A4CYP11B1CYP11B2
SCHEMBL8691493 0.75 RARA (0.53) RARARARBRARGCYP3A4CYP11B1
SCHEMBL18775432 0.74 RARB (0.73) RARARARBRARGCYP3A4CYP11B1
SCHEMBL17327788 0.73 RARA (0.67) RARARARBRARGCYP3A4CYP11B1

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