SCHEMBL8048010

SCHEMBL8048010

O=C(O)CN(CC(=O)O)OCCON(CC(=O)O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
EYA2 O00167 1/20 0.41
APP P05067 1/20 0.41
ACE P12821 1/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL158008 0.92 BLM (0.54) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL9093646 0.89 BLM (0.39) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL9817086 0.87 BLM (0.38) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL7717708 0.85 BLM (0.37) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL10171287 0.85 BLM (0.37) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL1034267 0.84 BLM (0.47) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL8663088 0.78 FFAR3 (0.38) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL3338460 0.78 FFAR3 (0.38) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL27264989 0.71 TDP1 (0.41) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL30963050 0.69 FFAR3 (0.35) BLMPMP22HSD17B10TDP1EYA2

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-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP disclosed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO disclosed