SCHEMBL3243787

SCHEMBL3243787

C=S=[C]Nc1cccc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ADAMTS4 O75173 1/20 0.41
EGFR P00533 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FYN P06241 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CA6 P23280 1/20 0.41
CDK2 P24941 1/20 0.41
MMP12 P39900 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
TRPA1 O75762 1/20 0.34

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
SCHEMBL3567348 0.74 LMNA (0.46) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL17715571 0.66 HPGD (0.52) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL7802339 0.66 ALDH1A1 (0.52) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL28897709 0.65 HSD17B10 (0.46) ALDH1A1LMNAHPGDALOX15HSD17B10
Pyrogallol SCHEMBL3532 0.62
Pyrogallol SCHEMBL170157 0.62 ALDH1A1 (1.00) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL2363598 0.61 CA2 (0.41) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL3993938 0.61 LMNA (0.46) ALDH1A1LMNAHPGDALOX15HSD17B10
Boric Acid SCHEMBL14940655 0.61 HPGD (0.46) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL3567350 0.61 ERN1 (0.48) ALDH1A1LMNAHPGDALOX15HSD17B10

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
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed