SCHEMBL8102765

SCHEMBL8102765

CC1(C)CCC(C)(C)c2cc(C(N)C(=O)Nc3ccc(C(=O)OCc4ccccc4)cc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
CYP26A1 O43174 6/20 0.46
CYP26B1 Q9NR63 3/20 0.46
CYP3A4 P08684 7/20 0.45
RARB P10826 4/20 0.45
RARG P13631 4/20 0.45
RARA P10276 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
LTA4H P09960 1/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL8106415 0.87 KMT2A (0.48) KMT2ARAB9AGAACYP26A1CYP26B1
SCHEMBL8093059 0.86 CYP26A1 (0.44) KMT2ACYP26A1CYP26B1CYP3A4RARB
SCHEMBL8093046 0.83 RARB (0.64) KMT2ACYP26A1CYP26B1CYP3A4RARB
SCHEMBL8100687 0.83 CYP3A4 (0.47) KMT2ARAB9AGAACYP3A4ALDH1A1
SCHEMBL8102916 0.81 RARB (0.51) KMT2ACYP26A1CYP26B1CYP3A4RARB
SCHEMBL8839182 0.80 KMT2A (0.54) KMT2ARAB9AGAACYP26A1CYP26B1
SCHEMBL8556266 0.80 RARG (0.45) KMT2ARAB9ACYP26A1CYP26B1CYP3A4
SCHEMBL8103042 0.79 RARB (0.47) KMT2ACYP26A1CYP26B1CYP3A4RARB
SCHEMBL8839024 0.79 KMT2A (0.56) KMT2ARAB9AGAACYP26A1CYP26B1
SCHEMBL8556008 0.78 RXRA (0.48) KMT2ACYP26A1CYP26B1CYP3A4RARB

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