SCHEMBL8458032

SCHEMBL8458032

COc1ccc(-c2cc3ccc(C(=O)O)cc3o2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 11/20 0.74
RARB P10826 10/20 0.74
RARA P10276 8/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
NR1I2 O75469 1/20 0.74
LMNA P02545 1/20 0.74
PGR P06401 1/20 0.74
HSPD1 P10809 1/20 0.74
GOT1 P17174 1/20 0.74
GLRA1 P23415 1/20 0.74
BLM P54132 1/20 0.74
HSPE1 P61604 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL6535667 0.92 RARG (0.74) RARGRARBRARAMEN1KMT2A
SCHEMBL7052829 0.86 RARG (0.70) RARGRARBRARAMEN1KMT2A
Adapalene SCHEMBL26688757 0.85 RARB (1.00) RARGRARBRARAMEN1KMT2A
Adapalene SCHEMBL29393098 0.85 RARB (1.00) RARGRARBRARAMEN1KMT2A
Adapalene SCHEMBL29357372 0.85 RARB (1.00) RARGRARBRARAMEN1KMT2A
Adapalene SCHEMBL4302240 0.85 RARB (1.00) RARGRARBRARAMEN1KMT2A
Adapalene SCHEMBL29688458 0.85 RARB (1.00) RARGRARBRARAMEN1KMT2A
Adapalene SCHEMBL2747 0.85 RARB (1.00) RARGRARBRARAMEN1KMT2A
Adapalene SCHEMBL29356474 0.85 RARB (1.00) RARGRARBRARAMEN1KMT2A
Adapalene SCHEMBL642210 0.84 RARB (0.98) RARGRARBRARAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
US-4740519-A Benzo (b) thiophene carboxylate derivatives and pharmaceutical compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1988-04-26 US disclosed