SCHEMBL9132155

SCHEMBL9132155

COc1ccc(-c2nc3ccc(C(=O)O)cc3o2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.67
▸ RARG P13631 6/20 0.67
▸ RARA P10276 5/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ NR1I2 O75469 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ PGR P06401 1/20 0.67
▸ HSPD1 P10809 1/20 0.67
▸ GOT1 P17174 1/20 0.67
▸ GLRA1 P23415 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ HSPE1 P61604 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ HPSE Q9Y251 8/20 0.48
▸ TTR P02766 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ DRD1 P21728 1/20 0.47

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
SCHEMBL8460028 0.87 RARB (0.50) RARBRARGRARAMEN1KMT2A
SCHEMBL8458032 0.83 RARG (0.74) RARBRARGRARAMEN1KMT2A
SCHEMBL17847409 0.83 RARA (0.67) RARBRARGRARAMEN1KMT2A
SCHEMBL6535667 0.81 RARG (0.74) RARBRARGRARAMEN1KMT2A
SCHEMBL1675424 0.81 NPC1 (0.62) HPSETTRALBMAOACNR1
Adapalene SCHEMBL4302240 0.80 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL29357372 0.80 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL29356474 0.80 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL2747 0.80 RARB (1.00) RARBRARGRARAMEN1KMT2A
Adapalene SCHEMBL29393098 0.80 RARB (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260295-A Retinoic acid derivatives, cosmetics, skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1993-11-09 — — US claimed
US-5428052-A Classifiable as retinoids; skin disorders, corneopathy CENTRE INTERNATIONALE DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1995-06-27 — — US disclosed
US-5288744-A Tetramethyltetrahydronaphthyl benzothiazole for treating skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1994-02-22 — — US disclosed
US-5260295-A Retinoic acid derivatives, cosmetics, skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1993-11-09 — — US disclosed
US-5059621-A Treatment of dermatologic ailments linked to keratinization disorder CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1991-10-22 — — US disclosed
US-4920140-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1990-04-24 — — 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
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