SCHEMBL8569004

SCHEMBL8569004

COCCOCOc1ccc(C#Cc2ccc(C(=O)OC)s2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.52
RARA P10276 4/20 0.51
S1PR1 P21453 1/20 0.38
HDAC11 Q96DB2 3/20 0.35
HDAC2 Q92769 1/20 0.35
RARG P13631 4/20 0.35
RARB P10826 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
PGR P06401 1/20 0.35
HSPD1 P10809 1/20 0.35
GOT1 P17174 1/20 0.35
GLRA1 P23415 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL8574977 0.87 HDAC11 (0.45) IKBKBRARAS1PR1HDAC11HDAC2
SCHEMBL8570423 0.86 RARA (0.59) IKBKBRARAS1PR1HDAC11HDAC2
SCHEMBL8658213 0.86 IKBKB (0.40) IKBKBRARAS1PR1HDAC11HDAC2
SCHEMBL9091286 0.84 IKBKB (0.52) IKBKBRARAS1PR1HDAC11HDAC2
SCHEMBL8617716 0.82 RARA (0.70) IKBKBRARARARGRARBKMT2A
SCHEMBL9090675 0.82 RARA (0.60) IKBKBRARAS1PR1RARGRARB
SCHEMBL8566520 0.81 RARA (0.54) IKBKBRARAS1PR1HDAC11HDAC2
SCHEMBL8570900 0.81 RARB (0.40) IKBKBRARAHDAC11HDAC2RARG
SCHEMBL8565667 0.81 IKBKB (0.55) IKBKBRARARARGRARBKMT2A
SCHEMBL8575213 0.81 RARA (0.54) IKBKBRARAS1PR1HDAC11HDAC2

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 4 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
EP-0679631-B1 Biaromatic acetylated, an adamantyl group containing compounds, pharmaceutical and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1998-05-06 EP 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
EP-0679631-A1 Biaromatic acetylated, an adamantyl group containing compounds, pharmaceutical and cosmetic compositions containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-11-02 EP disclosed