SCHEMBL8103043

SCHEMBL8103043

CNc1c[nH]c(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.53
BAZ2A Q9UIF9 1/20 0.53
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 1/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CREBBP Q92793 1/20 0.38

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
Hydrochloric Acid SCHEMBL653318 0.98 BAZ2B (0.51) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL15318252 0.81 BAZ2B (0.50) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL5063281 0.80 TDP1 (0.43) ALDH1A1GAALMNACREBBP
SCHEMBL8102674 0.79 BAZ2B (0.55) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL370477 0.78 BAZ2B (0.54) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL18236158 0.78 CREBBP (0.61) ALDH1A1GAAKMT2ACREBBP
SCHEMBL21712949 0.77 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL70354 0.76 BAZ2B (0.71) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL21060866 0.76 BAZ2B (0.56) BAZ2BBAZ2AALDH1A1CYP1A2GAA
SCHEMBL162449 0.76 BAZ2B (0.56) BAZ2BBAZ2AALDH1A1CYP1A2GAA

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