SCHEMBL8570953

SCHEMBL8570953

O=C(O)c1ccccc1C#Cc1ccc(OCCCO)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.39
RARB P10826 5/20 0.39
RARG P13631 5/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
IKBKB O14920 2/20 0.39
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
KDM4E B2RXH2 1/20 0.37
S1PR1 P21453 1/20 0.36
CNR1 P21554 3/20 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
SCHEMBL8568931 0.96 RARA (0.40) RARARARBRARGHIF1AEPAS1
SCHEMBL8570613 0.91 RARA (0.38) RARARARBRARGHIF1AEPAS1
SCHEMBL8572645 0.90 CNR2 (0.47) RARARARBRARGIKBKBMEN1
SCHEMBL8569212 0.90 CNR2 (0.47) RARARARBRARGIKBKBMEN1
SCHEMBL8570419 0.90 RARA (0.44) RARARARBRARGHIF1AEPAS1
SCHEMBL8567783 0.90 CNR2 (0.47) RARARARBRARGIKBKBMEN1
SCHEMBL8566864 0.90 CNR2 (0.47) RARARARBRARGIKBKBMEN1
SCHEMBL8574811 0.89 RARA (0.38) RARARARBRARGHIF1AEPAS1
SCHEMBL8569975 0.89 FAAH (0.38) RARARARBRARGHIF1AEPAS1
SCHEMBL8567955 0.87 FAAH (0.47) RARARARBRARGHIF1AEPAS1

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