SCHEMBL8839355

SCHEMBL8839355

COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.61
CYP26A1 O43174 6/20 0.57
CYP26B1 Q9NR63 3/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
RARB P10826 4/20 0.50
RARG P13631 4/20 0.50
RARA P10276 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49

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
SCHEMBL8839133 0.87 RARB (0.66) CYP3A4CYP26A1CYP26B1RARBRARG
SCHEMBL8677671 0.82 CYP3A4 (0.61) CYP3A4CYP26A1CYP26B1RARBRARG
SCHEMBL9184727 0.82 CYP3A4 (0.68) CYP3A4CYP26A1CYP26B1RARBRARG
SCHEMBL1616240 0.82 CYP26A1 (0.55) CYP3A4CYP26A1CYP26B1NPC1RAB9A
SCHEMBL2788640 0.82 CYP3A4 (0.70) CYP3A4CYP26A1CYP26B1RARBRARG
SCHEMBL9052426 0.82 CYP3A4 (0.71) CYP3A4CYP26A1CYP26B1RARBRARG
SCHEMBL1616205 0.81 CYP3A4 (0.51) CYP3A4CYP26A1CYP26B1NPC1RAB9A
SCHEMBL1615390 0.81 RARA (0.76) CYP3A4CYP26A1CYP26B1NPC1RAB9A
SCHEMBL9187540 0.80 CYP3A4 (0.76) CYP3A4CYP26A1CYP26B1RARBRARG
SCHEMBL9319204 0.80 CYP3A4 (0.67) CYP3A4CYP26A1CYP26B1RARBRARG

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-5688817-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, IMMUNOLOGY AND RHEUMATIC DISORDERS CENTRE INT'L. DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1997-11-18 US disclosed
US-5668156-A TREATMENT OF WARTS, ACNE, PSORIASIS, CORNEOPATHIES, KETONES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-09-16 US disclosed
US-5597839-A TREATMENT OF SKIN DISORDERS OR ANTIINFLAMMATORY AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-01-28 US disclosed
US-5567721-A AROMATIC UREA COMPOUND FOR SKIN DISORDER, RHEUMATIC DISEASE, RESPIRATORY DISORDER AND EYE DISORDER CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1996-10-22 US disclosed
US-5439925-A Skin disorders, rheumatic diseases CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-08 US disclosed
US-5387594-A Administering for topical and systemic treatment of CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-02-07 US disclosed