SCHEMBL8399150

SCHEMBL8399150

COC(C)OCOc1cc(C(=O)Cl)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.40
IKBKB O14920 5/20 0.40
RARB P10826 5/20 0.39
RARG P13631 5/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
HSPD1 P10809 1/20 0.39
GOT1 P17174 1/20 0.39
GLRA1 P23415 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.37
CNR2 P34972 1/20 0.37
S1PR1 P21453 1/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35

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
SCHEMBL8394318 0.91 IKBKB (0.41) RARAIKBKBRARBRARGMEN1
SCHEMBL8397880 0.91 RARA (0.48) RARAIKBKBRARBRARGMEN1
SCHEMBL8694753 0.91 RARA (0.48) RARAIKBKBRARBRARGMEN1
SCHEMBL8431711 0.85 RARA (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL8431940 0.84 CYP3A4 (0.49) RARAIKBKBRARBRARGMEN1
SCHEMBL7929371 0.83 RARB (0.51) RARAIKBKBRARBRARGMEN1
SCHEMBL8435855 0.83 RARA (0.42) RARAIKBKBRARBRARGMEN1
SCHEMBL8434724 0.83 RARA (0.44) RARAIKBKBRARBRARGMEN1
SCHEMBL8433273 0.83 RARA (0.45) RARAIKBKBRARBRARGMEN1
SCHEMBL8433862 0.83 RARA (0.54) RARAIKBKBRARBRARGMEN1

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-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US disclosed