SCHEMBL8616385

SCHEMBL8616385

CCOC(OC)Oc1ccc(C#Cc2ccc(OC(C)=O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
RARA P10276 5/20 0.39
RARB P10826 4/20 0.39
RARG P13631 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
HSPD1 P10809 1/20 0.39
GOT1 P17174 1/20 0.39
GLRA1 P23415 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC11 Q96DB2 3/20 0.35
HDAC2 Q92769 1/20 0.35
EPHX2 P34913 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL8621485 0.88 S1PR1 (0.39) S1PR1RARARARBRARGMEN1
SCHEMBL8617711 0.88 RARA (0.48) S1PR1RARARARBRARGMEN1
SCHEMBL9090666 0.88 RARA (0.41) S1PR1RARARARBRARGMEN1
SCHEMBL8616855 0.88 S1PR1 (0.36) S1PR1RARARARBRARGMEN1
SCHEMBL8644365 0.88 RARA (0.35) S1PR1RARARARBRARGMEN1
SCHEMBL8616809 0.87 RARA (0.41) S1PR1RARARARBRARGMEN1
SCHEMBL8614432 0.87 RARA (0.41) S1PR1RARARARBRARGMEN1
SCHEMBL8644616 0.86 RARA (0.34) S1PR1RARARARBRARGMEN1
SCHEMBL8621132 0.86 S1PR1 (0.40) S1PR1RARARARBRARGMEN1
SCHEMBL8615256 0.86 S1PR1 (0.37) S1PR1RARARARBRARGMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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