SCHEMBL8570986

SCHEMBL8570986

CC(CO)COc1ccc(C#Cc2ccccc2C(=O)O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.45
RARB P10826 5/20 0.45
RARG P13631 5/20 0.45
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.38
HSPD1 P10809 1/20 0.38
GOT1 P17174 1/20 0.38
GLRA1 P23415 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IKBKB O14920 2/20 0.37
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
S1PR1 P21453 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HDAC11 Q96DB2 3/20 0.34

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
SCHEMBL8566699 0.90 RARB (0.56) RARARARBRARGMEN1NR1I2
SCHEMBL8618164 0.86 RARB (0.55) RARARARBRARGMEN1NR1I2
SCHEMBL8570953 0.85 RARA (0.39) RARARARBRARGMEN1NR1I2
SCHEMBL8567722 0.85 RARA (0.51) RARARARBRARGMEN1NR1I2
SCHEMBL8573235 0.84 RARA (0.41) RARARARBRARGMEN1NR1I2
SCHEMBL8567955 0.84 FAAH (0.47) RARARARBRARGMEN1NR1I2
SCHEMBL8568931 0.84 RARA (0.40) RARARARBRARGMEN1NR1I2
SCHEMBL8566037 0.83 FAAH (0.42) RARARARBRARGMEN1NR1I2
SCHEMBL8566864 0.83 CNR2 (0.47) RARARARBRARGMEN1NR1I2
SCHEMBL8570419 0.83 RARA (0.44) 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 2 patents. 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 claimed
US-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US disclosed