SCHEMBL8100699

SCHEMBL8100699

CC1(C)CCC(C)(C)c2cc(C(C(N)=O)C(=O)OCc3ccccc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.47
RXRB P28702 3/20 0.47
CYP26B1 Q9NR63 3/20 0.46
CYP26A1 O43174 3/20 0.46
CYP3A4 P08684 1/20 0.46
PPARG P37231 4/20 0.45
RARB P10826 6/20 0.44
RARG P13631 6/20 0.44
RARA P10276 5/20 0.44
RXRG P48443 2/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8100914 0.91 RXRA (0.48) RXRARXRBCYP26B1CYP26A1CYP3A4
Hydrochloric Acid SCHEMBL8102611 0.90 RXRA (0.47) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL8102607 0.89 RXRA (0.49) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL8555469 0.82 RXRA (0.49) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL8103031 0.80 RXRA (0.57) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL6145801 0.77 CYP26A1 (0.48) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL10968190 0.77 ALDH1A1 (0.52) ALDH1A1
SCHEMBL8556266 0.77 RARG (0.45) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL8681345 0.76 RXRA (0.48) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL11521962 0.76 LMNA (0.54) ALDH1A1

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