SCHEMBL8102732

SCHEMBL8102732

C=CCOC(=O)c1ccc(C(=O)NC(CO)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.42
RXRB P28702 2/20 0.42
CYP26A1 O43174 7/20 0.41
CYP3A4 P08684 6/20 0.41
CYP26B1 Q9NR63 3/20 0.41
RARA P10276 8/20 0.41
RARB P10826 8/20 0.41
RARG P13631 8/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TBXA2R P21731 1/20 0.41
BLVRB P30043 1/20 0.41
ROCK2 O75116 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8093126 0.90 CYP26A1 (0.42) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL8108641 0.86 CYP3A4 (0.45) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL8108598 0.82 RXRA (0.62) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL8839101 0.81 RXRA (0.48) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL8102647 0.81 CYP3A4 (0.41) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL8106548 0.80 CYP3A4 (0.47) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL8839136 0.78 RARB (0.52) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL8458134 0.78 CYP26A1 (0.65) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL8839149 0.78 RARB (0.45) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL8839100 0.78 RXRA (0.45) RXRARXRBCYP26A1CYP3A4CYP26B1

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