SCHEMBL8566041

SCHEMBL8566041

O=C(OC#Cc1ccc(OCC2CC2)c(C23CC4CC(CC(C4)C2)C3)c1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.40
RARA P10276 4/20 0.38
RARB P10826 3/20 0.38
RARG P13631 3/20 0.38
FAAH O00519 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
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
S1PR1 P21453 1/20 0.37

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
SCHEMBL8567959 0.87 FAAH (0.43) RARARARBRARGFAAHCNR1
SCHEMBL8570955 0.86 RARA (0.40) RARARARBRARGMEN1NR1I2
SCHEMBL8567725 0.86 RARA (0.52) RARARARBRARGFAAHCNR2
SCHEMBL8570618 0.85 HIF1A (0.38) RARARARBRARGMEN1NR1I2
SCHEMBL8568934 0.85 RARA (0.41) RARARARBRARGFAAHCNR1
SCHEMBL8567780 0.84 CNR2 (0.43) PDE4BRARARARBRARGFAAH
SCHEMBL8568811 0.84 RARB (0.57) RARARARBRARGMEN1NR1I2
SCHEMBL8570420 0.84 RARA (0.45) RARARARBRARGFAAHCNR1
SCHEMBL8572648 0.84 CNR2 (0.43) PDE4BRARARARBRARGFAAH
SCHEMBL8566865 0.84 CNR2 (0.43) PDE4BRARARARBRARGFAAH

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