SCHEMBL8900666

SCHEMBL8900666

COc1cc2ccc(-c3ccc(C(=O)O)cc3)cc2cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.78
RARG P13631 12/20 0.78
RARA P10276 9/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
NR1I2 O75469 1/20 0.78
LMNA P02545 1/20 0.78
PGR P06401 1/20 0.78
HSPD1 P10809 1/20 0.78
GOT1 P17174 1/20 0.78
GLRA1 P23415 1/20 0.78
BLM P54132 1/20 0.78
HSPE1 P61604 1/20 0.78
TDP1 Q9NUW8 1/20 0.78
THRB P10828 1/20 0.71
RECQL P46063 1/20 0.71
NR2E1 Q9Y466 1/20 0.71
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
TP53 P04637 1/20 0.60

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
Adapalene SCHEMBL2747 0.87 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL26688757 0.87 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL29357372 0.87 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL29356474 0.87 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL4302240 0.87 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL29688458 0.87 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL29393098 0.87 RARB (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL14027627 0.87 RARB (0.82) RARBRARGRARAMEN1KMT2A
SCHEMBL7517470 0.87 RARB (0.65) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL641526 0.86 RARB (0.98) RARBRARGRARAMEN1KMT2A

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-5124473-A Skin disorders; antiinflammatory agents, antiallergens CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-06-23 US claimed
EP-0210929-B1 AROMATIC POLYCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL AND COSMETIC USE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1992-06-03 EP claimed
US-5686586-A Polycyclic aromatic derivatives, process for preparing the same and pharmaceutical and cosmetic compositions containing the same CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1997-11-11 US disclosed
US-5602104-A SKIN DISORDERS, CONJUNCTIVE TISSUE DISORDERS, ANTITUMOR AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-02-11 US disclosed
US-5434180-A Skin disorders; retinoid activity; rheumatoid psoriasis; CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-07-18 US disclosed
US-5124473-A Skin disorders; antiinflammatory agents, antiallergens CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-06-23 US disclosed