SCHEMBL8102425

SCHEMBL8102425

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RXRA P19793 5/20 0.52
RXRB P28702 3/20 0.52
RXRG P48443 3/20 0.52
CYP26B1 Q9NR63 6/20 0.50
CYP26A1 O43174 5/20 0.50
PPARG P37231 3/20 0.46
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
RARA P10276 2/20 0.45
ENPP2 Q13822 1/20 0.44
LIPE Q05469 1/20 0.44

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
SCHEMBL8839103 0.85 RXRA (0.52) ALDH1A1RXRARXRBRXRGCYP26B1
SCHEMBL9746808 0.83 RARB (0.59) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL8839372 0.82 TDP1 (0.46) ALDH1A1MAPK1L3MBTL1RXRARXRB
SCHEMBL8102850 0.81 RXRA (0.55) ALDH1A1RXRARXRBRXRGCYP26B1
SCHEMBL8839024 0.80 KMT2A (0.56) ALDH1A1RXRARXRBRXRGCYP26B1
SCHEMBL8839208 0.80 RXRA (0.49) ALDH1A1MAPK1L3MBTL1RXRARXRB
SCHEMBL6148042 0.79 CYP26A1 (0.71) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL9350492 0.78 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1RXRARXRB
SCHEMBL11241526 0.78 RXRA (0.60) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL6784181 0.77 ALDH1A1 (0.96) ALDH1A1MAPK1L3MBTL1ENPP2LIPE

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