SCHEMBL7352007

SCHEMBL7352007

CC(C)(C)OC(=O)N1CCCC1CC(=O)S

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE8B O95263 1/20 0.41
ATM Q13315 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
OPRD1 P41143 1/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 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
SCHEMBL13337700 0.86 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL27426143 0.86 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL115846 0.86 HSD17B10 (0.50) HSD17B10SMN1; SMN2ALDH1A1PDE8BATM
SCHEMBL894504 0.86 HSD17B10 (0.50) HSD17B10SMN1; SMN2ALDH1A1PDE8BATM
SCHEMBL28239355 0.86 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL144831 0.86 HSD17B10 (0.50) HSD17B10SMN1; SMN2ALDH1A1PDE8BATM
Hydrochloric Acid SCHEMBL25198974 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2ALDH1A1PDE8BATM
SCHEMBL21946826 0.85 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALDH1A1PDE8BATM
SCHEMBL31436233 0.85 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALDH1A1PDE8BATM
SCHEMBL21999448 0.84 HSD17B10 (0.48) HSD17B10SMN1; SMN2ALDH1A1PDE8BATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0623595-A1 Guanidinyl- or amidinyl-substituted heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-09 EP disclosed