SCHEMBL8565667

SCHEMBL8565667

COCCOCOc1ccc(C#Cc2ccc(C(=O)OC)cn2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.55
RARA P10276 5/20 0.53
RARG P13631 5/20 0.42
RARB P10826 3/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.42
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
TDP1 Q9NUW8 1/20 0.38
CYP26A1 O43174 1/20 0.38
HIF1A Q16665 3/20 0.38
BACE1 P56817 1/20 0.37
EPAS1 Q99814 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
SCHEMBL8616409 0.92 IKBKB (0.62) IKBKBRARARARGRARBKMT2A
SCHEMBL8570423 0.90 RARA (0.59) IKBKBRARARARGRARBKMT2A
SCHEMBL9090281 0.87 IKBKB (0.42) IKBKBRARARARGRARBKMT2A
SCHEMBL19639432 0.84 RARA (0.67) IKBKBRARARARGRARBKMT2A
SCHEMBL9090675 0.84 RARA (0.60) IKBKBRARARARGRARBKMT2A
SCHEMBL8617716 0.84 RARA (0.70) IKBKBRARARARGRARBKMT2A
SCHEMBL8614435 0.83 RARA (0.59) IKBKBRARARARGRARBKMT2A
SCHEMBL9091286 0.82 IKBKB (0.52) IKBKBRARARARGRARBKMT2A
SCHEMBL8572384 0.82 IKBKB (0.56) IKBKBRARARARGRARBKMT2A
SCHEMBL9090600 0.81 IKBKB (0.51) IKBKBRARARARGRARBKMT2A

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 disclosed
US-5574036-A Adamantyl-substituted polycyclic acetylene compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1996-11-12 US disclosed