SCHEMBL8102598

SCHEMBL8102598

CCCn1cc(NC(=O)C(NC(=O)OC(C)(C)C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CYP3A4 P08684 5/20 0.33
CYP26A1 O43174 4/20 0.33
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
RARA P10276 2/20 0.33
CYP26B1 Q9NR63 1/20 0.33
PPARG P37231 2/20 0.32
BACE1 P56817 3/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RORC P51449 1/20 0.31

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 0.89 RARB (0.35) CTSSCTSKCYP3A4CYP26A1RARB
SCHEMBL8106421 0.84 CYP3A4 (0.37) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL8559747 0.84 CYP3A4 (0.35) CTSSCTSKCYP3A4CYP26A1RARB
SCHEMBL8106311 0.82 RARB (0.37) CTSSCTSKCYP3A4CYP26A1RARB
SCHEMBL8106743 0.78 MEN1 (0.42) CTSSCTSKCYP3A4CYP26A1RARB
SCHEMBL8757257 0.77 RARB (0.40) CTSSCTSKCYP3A4CYP26A1RARB
SCHEMBL8748829 0.76 RARB (0.55) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL8100983 0.76 RARB (0.44) CTSSCTSKCYP3A4CYP26A1RARB
SCHEMBL8102431 0.75 RARB (0.43) CTSSCTSKCYP3A4CYP26A1RARB
SCHEMBL8108628 0.75 RARB (0.36) CTSSCTSKCYP3A4CYP26A1RARB

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