SCHEMBL8102850

SCHEMBL8102850

COC(=O)Cc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.55
RXRB P28702 2/20 0.55
RXRG P48443 2/20 0.55
CYP26A1 O43174 6/20 0.52
CYP26B1 Q9NR63 6/20 0.52
PPARG P37231 4/20 0.51
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
PDK2 Q15119 1/20 0.48
CYP3A4 P08684 1/20 0.48
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HSP90AB1 P08238 1/20 0.45

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
SCHEMBL10835366 0.87 RARA (0.57) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL16516849 0.85 CYP26A1 (0.74) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL29567307 0.85 CYP26A1 (0.74) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL30175075 0.84 CYP26B1 (0.65) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL17911578 0.84 CYP26B1 (0.65) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL11241526 0.83 RXRA (0.60) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL17911577 0.83 CYP26A1 (0.60) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL8808678 0.82 CYP26A1 (0.54) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL6148042 0.82 CYP26A1 (0.71) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL16516901 0.82 CYP26B1 (0.56) RXRARXRBRXRGCYP26A1CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100263-A CONTROLLING ANIMAL PESTS OR HARMFUL FUNGI; 2-METHOXYIMINO-2-(2'-(1?-METHYL,1?-(1?'-(6??-(4??'-CHLOROPHENYL) -HEXYLOXYIMINO) ,2?',2?'-DIMETHYLPROPYL))IMINOOXYMETHYL)-PHENYLACETIC ACID MONOMETHYLAMIDE, FOR EXAMPLE BASF AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
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-5981581-A FOR CONTROLLING ANIMAL PESTS OR HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 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