SCHEMBL8019701

SCHEMBL8019701

CC(=O)c1ccc(C)c(S)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
MAPT P10636 7/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
HSD17B1 P14061 2/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRKCI P41743 1/20 0.40
KMT2A Q03164 1/20 0.40
S100A4 P26447 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40

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
SCHEMBL860172 0.83 CYP2A6 (0.47) CYP2A6MAPTRAB9ANPC1HSD17B1
SCHEMBL2952250 0.83 TSHR (0.52) MAPTSMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL13495898 0.81 PARP1 (0.48) MAPTSMN1; SMN2TDP1ALDH1A1LMNA
SCHEMBL6516135 0.81 CYP2A6 (0.46) CYP2A6MAPTRAB9ANPC1HSD17B1
SCHEMBL6519001 0.81 CYP2A6 (0.46) CYP2A6MAPTRAB9ANPC1HSD17B1
SCHEMBL6519005 0.81 CYP2A6 (0.46) CYP2A6MAPTRAB9ANPC1HSD17B1
SCHEMBL29787835 0.79 SMN1; SMN2 (0.57) CYP2A6MAPTRAB9ANPC1HSD17B1
SCHEMBL110321 0.79 SMN1; SMN2 (0.57) CYP2A6MAPTRAB9ANPC1HSD17B1
SCHEMBL10651124 0.78 PKM (0.55) CYP2A6MAPTRAB9ANPC1HSD17B1
SCHEMBL9132393 0.78 TDP1 (0.53) MAPTSMN1; SMN2TDP1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1251575-A Oxime ether compounds, their use and intermediates for preparing same SUMITOMO CHEMICAL CO (JP) 2000-04-26 CN disclosed
EP-0975587-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed
WO-1998043949-A1 OXIME ETHER COMPOUNDS, THEIR USE AND INTERMEDIATES FOR PREPARATIONS OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-08 WO disclosed
US-5198587-A Adrenergic Blocking Agents, Hypotensive Agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-30 US disclosed
US-5063246-A Hypotensive YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-11-05 US disclosed
US-4880841-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed