SCHEMBL7715074

SCHEMBL7715074

C=CCOC(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.54
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
MAOB P27338 1/20 0.40
AOC3 Q16853 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRD1 P41143 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL175786 0.86 SNCA (0.67) SNCACYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL624385 0.83 ALDH1A1 (0.56) SNCACYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL8839061 0.81 SNCA (0.58) SNCACYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL2705494 0.81 SNCA (0.58) SNCACYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL9270334 0.81 SNCA (0.58) SNCACYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL11048573 0.81 CA1 (0.61) SNCACYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL10086350 0.81 SNCA (0.51) SNCACYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL17386391 0.80 SNCA (0.61) SNCACYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL461801 0.80 SNCA (0.61) SNCACYP3A4ALDH1A1HSD17B10TSHR
Hydrochloric Acid SCHEMBL1271593 0.80 SNCA (0.50) SNCACYP3A4ALDH1A1HPGDSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 US disclosed
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed