SCHEMBL8567401

SCHEMBL8567401

COc1cc(OC)c(C23CC4CC(CC(C4)C2)C3)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
RARA P10276 3/20 0.44
RARB P10826 3/20 0.44
RARG P13631 3/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC2 Q92769 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
HSPD1 P10809 1/20 0.43
GOT1 P17174 1/20 0.43
GLRA1 P23415 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL9853377 0.88 RARA (0.43) ALDH1A1TDP1KDM4ETSHRRARA
SCHEMBL12309931 0.87 RARA (0.42) ALDH1A1TDP1KDM4ETSHRRARA
SCHEMBL8458308 0.87 RARA (0.45) TDP1RARARARBRARGHDAC11
SCHEMBL12309928 0.87 PRKDC (0.55) ALDH1A1TDP1KDM4ETSHRRARA
SCHEMBL9253940 0.87 RARA (0.42) ALDH1A1TDP1KDM4ETSHRRARA
SCHEMBL8572262 0.83 IKBKB (0.51) ALDH1A1TDP1KDM4ETSHRRARA
SCHEMBL8572254 0.82 TDP1 (0.38) ALDH1A1TDP1KDM4ETSHRRARA
SCHEMBL8572258 0.82 ALDH1A1 (0.38) ALDH1A1TDP1KDM4ETSHRRARA
SCHEMBL27957244 0.79 RARA (0.37) ALDH1A1TDP1KDM4ETSHRRARA
SCHEMBL6623493 0.78 RARB (0.47) ALDH1A1TDP1KDM4ETSHRRARA

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 6 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
EP-0409728-B1 Bi-aromatic esters, process for their preparation and their use in human or animal medicine and in cosmetics CIRD GALDERMA (FR) 1995-03-01 EP disclosed
EP-0409728-A2 Bi-aromatic esters, process for their preparation and their use in human or animal medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1991-01-23 EP disclosed