SCHEMBL8570613

SCHEMBL8570613

NC(=O)CCCOc1ccc(C#Cc2ccccc2C(=O)O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.38
IKBKB O14920 2/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
RARB P10826 4/20 0.37
RARG P13631 4/20 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 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 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
SCHEMBL8569975 0.96 FAAH (0.38) RARAIKBKBHIF1AEPAS1RARB
SCHEMBL8570953 0.91 RARA (0.39) RARAIKBKBHIF1AEPAS1RARB
SCHEMBL8568931 0.89 RARA (0.40) RARAIKBKBHIF1AEPAS1RARB
SCHEMBL8572645 0.88 CNR2 (0.47) RARAIKBKBRARBRARGMEN1
SCHEMBL8570419 0.88 RARA (0.44) RARAIKBKBHIF1AEPAS1RARB
SCHEMBL8567783 0.88 CNR2 (0.47) RARAIKBKBRARBRARGMEN1
SCHEMBL8566864 0.88 CNR2 (0.47) RARAIKBKBRARBRARGMEN1
SCHEMBL8569212 0.88 CNR2 (0.47) RARAIKBKBRARBRARGMEN1
SCHEMBL8574811 0.87 RARA (0.38) RARAIKBKBHIF1AEPAS1RARB
SCHEMBL8567955 0.86 FAAH (0.47) RARAHIF1AEPAS1RARBRARG

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