SCHEMBL8574331

SCHEMBL8574331

COC(CCc1ccc(C#Cc2ccccc2C(=O)O)cc1C12CC3CC(CC(C3)C1)C2)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.36
RARG P13631 5/20 0.36
RARA P10276 3/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
PGR P06401 1/20 0.34
HSPD1 P10809 1/20 0.34
GOT1 P17174 1/20 0.34
GLRA1 P23415 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FFAR1 O14842 5/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL8568453 0.94 RARB (0.34) RARBRARGRARAHIF1AEPAS1
SCHEMBL8568872 0.87 RARB (0.36) RARBRARGRARAHIF1AEPAS1
SCHEMBL8620103 0.86 RARB (0.46) RARBRARGRARAMEN1NR1I2
SCHEMBL8567722 0.81 RARA (0.51) RARBRARGRARAHIF1AEPAS1
SCHEMBL8620348 0.80 RARB (0.42) RARBRARGRARAMEN1NR1I2
SCHEMBL8567746 0.78 RARA (0.47) RARBRARGRARAHIF1AEPAS1
SCHEMBL8568397 0.78 RARA (0.38) RARBRARGRARAHIF1AEPAS1
SCHEMBL8573235 0.78 RARA (0.41) RARBRARGRARAHIF1AEPAS1
SCHEMBL8570419 0.76 RARA (0.44) RARBRARGRARAHIF1AEPAS1
SCHEMBL8394296 0.76 CNR2 (0.35) RARBRARGRARAHIF1AEPAS1

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