SCHEMBL7340478

SCHEMBL7340478

CC(=O)CC(=O)OCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 1/20 0.60
APEX1 P27695 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TSHR P16473 1/20 0.60
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
GLA P06280 1/20 0.55
BRCA1 P38398 1/20 0.55
MAPK1 P28482 2/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RAB9A P51151 1/20 0.52

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
SCHEMBL7340327 0.91 SMN1; SMN2 (0.57) HSD17B10SMN1; SMN2POLBAPEX1TDP1
SCHEMBL7343940 0.89 ALDH1A1 (0.54) HSD17B10SMN1; SMN2POLBAPEX1TDP1
SCHEMBL10767291 0.85 SMN1; SMN2 (0.50) HSD17B10SMN1; SMN2POLBAPEX1TDP1
SCHEMBL11000826 0.84 ALDH1A1 (0.63) HSD17B10SMN1; SMN2POLBAPEX1TDP1
SCHEMBL7346924 0.84 CYP1A2 (0.57) HSD17B10TSHRALDH1A1GAAHPGD
SCHEMBL30855594 0.84 CYP1A2 (0.57) HSD17B10TSHRALDH1A1GAAHPGD
SCHEMBL10495293 0.84 SMN1; SMN2 (0.67) HSD17B10SMN1; SMN2POLBAPEX1TDP1
SCHEMBL29500204 0.83 SMN1; SMN2 (0.65) HSD17B10SMN1; SMN2POLBAPEX1TDP1
SCHEMBL20176018 0.82 TSHR (0.67) HSD17B10SMN1; SMN2POLBAPEX1TDP1
SCHEMBL7747787 0.80 SMN1; SMN2 (0.61) HSD17B10SMN1; SMN2POLBAPEX1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258519-A FOR TREATMENT OF HYPERTENSION AND CARDIAC CONDITIONS GLAXO INC. (US) 1993-11-02 US disclosed
US-5100892-A Hypotensive agents, congestive heart failure GLAXO INC. (US) 1992-03-31 US disclosed
US-4833150-A HYPOTENSIVES, ANTIARRHYTHMIA AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-05-23 US disclosed
US-4652573-A HYPOTENSIVE AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1987-03-24 US disclosed
EP-0194685-A1 1,4-Dihydropyridines Whitby Research Incorporated (US) 1986-09-17 EP disclosed