SCHEMBL10401992

SCHEMBL10401992

COCc1nnc(SCC(=O)O)s1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 2/20 0.47
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 2/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL10401989 0.87 TSHR (0.44) GAAL3MBTL1TSHRPOLBSMN1; SMN2
SCHEMBL10402745 0.81 HSD17B10 (0.43) GAAL3MBTL1TSHRPOLBSMN1; SMN2
SCHEMBL10403103 0.80 POLB (0.46) GAAL3MBTL1TSHRPOLBSMN1; SMN2
SCHEMBL8436040 0.78 GAA (0.74) GAAL3MBTL1TSHRPOLBSMN1; SMN2
SCHEMBL10402744 0.78 HSD17B10 (0.43) GAAL3MBTL1TSHRPOLBSMN1; SMN2
SCHEMBL10401935 0.75 POLB (0.44) GAATSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL1686848 0.74 GAA (1.00) GAAL3MBTL1TSHRPOLBALDH1A1
SCHEMBL14557231 0.74 GAA (0.68) GAAL3MBTL1TSHRPOLBSMN1; SMN2
SCHEMBL19369802 0.73 POLB (0.53) GAATSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL9053674 0.73 GAA (0.67) GAAL3MBTL1TSHRPOLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed