SCHEMBL8106325

SCHEMBL8106325

C=CCOC(=O)c1ccc(N)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 3/20 0.56
TSHR P16473 1/20 0.56
CYP3A4 P08684 4/20 0.56
KDM4E B2RXH2 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 4/20 0.51
TP53 P04637 2/20 0.51
KDR P35968 2/20 0.51
LMNA P02545 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51
ADRA1A P35348 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL1170618 0.88 ALDH1A1 (0.56) GAAALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL5102454 0.87 CYP3A4 (0.64) GAAALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL2925752 0.84 SERPINE1 (0.67) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL15956286 0.83 ALDH1A1 (0.55) GAAALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL3945760 0.83 ALDH1A1 (0.55) GAAALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL10336950 0.83 HSD17B10 (0.55) GAAALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL15671718 0.83 CYP3A4 (0.57) ALDH1A1HSD17B10TSHRCYP3A4ESR2
SCHEMBL788648 0.81 CYP3A4 (0.63) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL7647241 0.81 CYP3A4 (0.56) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL2143574 0.81 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRCYP3A4KDM4E

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 4 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-5869067-A TREATING DERMATOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1999-02-09 US disclosed
US-5753239-A Bi-aromatic compounds and pharmaceutical and cosmetic compositions CENTRE INTERNATIONAL DE RECHERCHES DEMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1998-05-19 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