SCHEMBL8570618

SCHEMBL8570618

NC(=O)CCCOc1ccc(C#COC(=O)c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.38
RARA P10276 4/20 0.38
IKBKB O14920 2/20 0.38
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
PGR P06401 1/20 0.37
HSPD1 P10809 1/20 0.37
GOT1 P17174 1/20 0.37
GLRA1 P23415 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.36
S1PR1 P21453 1/20 0.36
HDAC11 Q96DB2 1/20 0.35
PPARG P37231 5/20 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
SCHEMBL8569980 0.96 RARA (0.38) HIF1ARARAIKBKBRARBRARG
SCHEMBL8570955 0.90 RARA (0.40) HIF1ARARAIKBKBRARBRARG
SCHEMBL8568934 0.89 RARA (0.41) HIF1ARARAIKBKBRARBRARG
SCHEMBL8572648 0.88 CNR2 (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL8569216 0.88 CNR2 (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL8570420 0.88 RARA (0.45) HIF1ARARAIKBKBRARBRARG
SCHEMBL8567780 0.88 CNR2 (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL8566865 0.88 CNR2 (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL8574814 0.87 RARA (0.39) HIF1ARARAIKBKBRARBRARG
SCHEMBL8567959 0.85 FAAH (0.43) 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-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US disclosed