SCHEMBL8106311

SCHEMBL8106311

COC(=O)c1ccc(NC(=O)C(NC(=O)OC(C)(C)C)c2ccc3c(c2)C(C)(C)CCC3(C)C)n1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.37
RARG P13631 6/20 0.37
CYP3A4 P08684 5/20 0.37
CYP26A1 O43174 4/20 0.37
RARA P10276 5/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CYP26B1 Q9NR63 1/20 0.34
NR1H2 P55055 1/20 0.33
S1PR3 Q99500 2/20 0.33
BACE1 P56817 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL8108607 0.85 RARB (0.35) RARBRARGCYP3A4CYP26A1RARA
SCHEMBL8102598 0.82 CTSS (0.34) RARBRARGCYP3A4CYP26A1RARA
SCHEMBL8100972 0.81 RARB (0.41) RARBRARGCYP3A4CYP26A1RARA
SCHEMBL8559747 0.80 CYP3A4 (0.35) RARBRARGCYP3A4CYP26A1RARA
SCHEMBL8108628 0.80 RARB (0.36) RARBRARGCYP3A4CYP26A1RARA
SCHEMBL8106743 0.79 MEN1 (0.42) RARBRARGCYP3A4CYP26A1RARA
SCHEMBL8757257 0.78 RARB (0.40) RARBRARGCYP3A4CYP26A1RARA
SCHEMBL8100983 0.77 RARB (0.44) RARBRARGCYP3A4CYP26A1RARA
SCHEMBL8748829 0.77 RARB (0.55) RARBRARGCYP3A4CYP26A1RARA
SCHEMBL8748606 0.77 RARB (0.40) RARBRARGCYP3A4CYP26A1RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051243-A USEFUL IN THE TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL CONDITIONS ASSOCIATED WITH A KERATINIZATION DISORDER, DERMATOLOGICAL CONDITIONS (AND THE LIKE) INCLUDING AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-04-18 US disclosed
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed