SCHEMBL7340327

SCHEMBL7340327

CC(=O)CC(=O)OCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 4/20 0.54
TSHR P16473 3/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC7 Q8WUI4 3/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
NR2F2 P24468 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL7343940 0.94 ALDH1A1 (0.54) SMN1; SMN2MAPTRAB9AALDH1A1TSHR
SCHEMBL7340478 0.91 HSD17B10 (0.60) SMN1; SMN2RAB9AALDH1A1TSHRHSD17B10
SCHEMBL10495302 0.85 ALDH1A1 (0.70) SMN1; SMN2MAPTRAB9AALDH1A1TSHR
SCHEMBL10555513 0.84 SMN1; SMN2 (0.62) SMN1; SMN2MAPTRAB9AALDH1A1TSHR
SCHEMBL7347999 0.82 SMN1; SMN2 (0.54) SMN1; SMN2MAPTRAB9AALDH1A1TSHR
SCHEMBL30855594 0.82 CYP1A2 (0.57) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL7346924 0.82 CYP1A2 (0.57) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL28801777 0.81 ALDH1A1 (0.64) SMN1; SMN2MAPTRAB9AALDH1A1TSHR
SCHEMBL9839694 0.80 SMN1; SMN2 (0.54) SMN1; SMN2MAPTRAB9AALDH1A1TSHR
SCHEMBL10767291 0.80 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AALDH1A1TSHRHSD17B10

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-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