SCHEMBL6745338

SCHEMBL6745338

O=C1NC(=O)C(CN(C(=O)O)C(=O)O)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 2/20 0.34
TSHR P16473 3/20 0.33
RGS12 O14924 1/20 0.33
GAA P10253 2/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ADAMTS4 O75173 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30

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
SCHEMBL17930204 0.68 HSD17B10 (0.42) HSD17B10MAPTALDH1A1LMNAHTT
SCHEMBL11666010 0.64 ALDH1A1 (0.53) HSD17B10MAPTALDH1A1LMNAHTT
SCHEMBL9227344 0.64 ALDH1A1 (0.38) HSD17B10MAPTALDH1A1LMNAHTT
SCHEMBL145905 0.62 TSHR (0.46) HSD17B10MAPTALDH1A1LMNAHTT
SCHEMBL11373401 0.62 HSD17B10 (0.50) HSD17B10MAPTALDH1A1LMNAHTT
SCHEMBL533616 0.62 HSD17B10 (0.37) HSD17B10MAPTALDH1A1LMNAHTT
SCHEMBL7646486 0.62 HSD17B10 (0.37) HSD17B10MAPTALDH1A1LMNAHTT
SCHEMBL6977803 0.62 GRM2 (0.37) HSD17B10MAPTALDH1A1LMNAHTT
SCHEMBL17898549 0.62 IDO1 (0.40) HSD17B10MAPTALDH1A1LMNAHTT
SCHEMBL2162536 0.60 ALDH1A1 (0.42) HSD17B10MAPTALDH1A1LMNATSHR

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
EP-0772770-B2 DETERMINING BIODEGRADABILITY OF IMINODIACETIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF DOW CHEMICAL CO (US) 2004-02-11 EP disclosed
EP-0772770-B1 DETERMINING BIODEGRADABILITY OF IMINODIACETIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF DOW CHEMICAL CO (US) 2000-04-05 EP disclosed