SCHEMBL8102604

SCHEMBL8102604

C=CCOC(=O)c1ccc(NC(=O)C(NC(=O)OC(C)(C)C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
RARA P10276 4/20 0.35
RARG P13631 4/20 0.35
RARB P10826 3/20 0.35
CYP26A1 O43174 6/20 0.34
CYP3A4 P08684 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TBXA2R P21731 1/20 0.34
BLVRB P30043 1/20 0.34
CYP26B1 Q9NR63 4/20 0.34
BACE1 P56817 5/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL8093109 0.86 RARG (0.43) CA12CA1CA2CA4CA9
SCHEMBL8757257 0.79 RARB (0.40) CA12CA1CA2CA4CA9
SCHEMBL8457429 0.78 RARA (0.56) RARARARGRARBCYP26A1CYP3A4
SCHEMBL8106743 0.78 MEN1 (0.42) CA12CA1CA2CA4CA9
SCHEMBL8748829 0.77 RARB (0.55) RARARARGRARBCYP26A1CYP3A4
SCHEMBL8100983 0.77 RARB (0.44) RARARARGRARBCYP26A1CYP3A4
SCHEMBL8103130 0.76 BACE1 (0.42) CYP26A1CYP3A4CYP26B1BACE1ALDH1A1
SCHEMBL8108774 0.76 RARA (0.46) RARARARGRARBCYP26A1CYP3A4
SCHEMBL8102431 0.76 RARB (0.43) RARARARGRARBCYP26A1CYP3A4
SCHEMBL8102647 0.76 CYP3A4 (0.41) RARARARGRARBCYP26A1CYP3A4

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