SCHEMBL8399151

SCHEMBL8399151

CCOC(OC)Oc1cc(C(=O)Cl)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.39
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
CNR2 P34972 2/20 0.39
PKM P14618 1/20 0.39
PPARG P37231 3/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
MAPT P10636 1/20 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
SCHEMBL8694759 0.91 RARA (0.44) RARARARBRARGMEN1NR1I2
SCHEMBL8397882 0.91 RARG (0.48) RARARARBRARGMEN1NR1I2
SCHEMBL8431715 0.85 RARB (0.43) RARARARBRARGMEN1NR1I2
SCHEMBL7929375 0.83 RARB (0.51) RARARARBRARGMEN1NR1I2
SCHEMBL8432429 0.83 CYP3A4 (0.48) RARARARBRARGMEN1NR1I2
SCHEMBL8436675 0.83 RARA (0.41) RARARARBRARGMEN1NR1I2
SCHEMBL8433865 0.83 RARA (0.54) RARARARBRARGMEN1NR1I2
SCHEMBL9090666 0.83 RARA (0.41) RARARARBRARGMEN1NR1I2
SCHEMBL8433276 0.83 RARA (0.44) RARARARBRARGMEN1NR1I2
SCHEMBL8431871 0.83 RARG (0.63) RARARARBRARGMEN1NR1I2

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