SCHEMBL7595087

SCHEMBL7595087

COC(=O)C1=Cc2sccc2CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
KMT2A Q03164 7/20 0.36
KDM4E B2RXH2 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 5/20 0.35
MAPT P10636 3/20 0.35
MAPK10 P53779 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGS1 P23219 1/20 0.35
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9835855 0.83 ALDH1A1 (0.39) KMT2AKDM4EL3MBTL1NPC1ALDH1A1
SCHEMBL7514655 0.75 CA12 (0.39) CNR2KMT2AKDM4ENPC1ALDH1A1
SCHEMBL9835663 0.71 TBXAS1 (0.43) CNR2KDM4EL3MBTL1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL10489396 0.71 KMT2A (0.34) CNR2KMT2AKDM4EL3MBTL1NPC1
SCHEMBL7911204 0.70 CA12 (0.50) KDM4EL3MBTL1NPC1ALDH1A1HPGD
SCHEMBL31090834 0.70 CA12 (0.50) KDM4EL3MBTL1NPC1ALDH1A1HPGD
SCHEMBL7597111 0.70 KMT2A (0.45) CNR2KMT2AKDM4EL3MBTL1NPC1
SCHEMBL9835838 0.70 KDM4E (0.35) KMT2AKDM4EL3MBTL1NPC1ALDH1A1
SCHEMBL2600399 0.69 CHRM3 (0.44) NPSR1LMNATSHR
SCHEMBL9836618 0.68 ALDH1A1 (0.45) KMT2AKDM4EL3MBTL1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690054-B1 1-Amino-2-cyclohexene derivatives and production process therefor KURARAY CO (JP) 2002-11-20 EP disclosed
US-5587486-A CONDENSATION; CARBONYLATION; HYDROLYSIS; INTERMEDIATES IN THE PRODUCTION OF MEDICINAL AND AGRICULTURAL AGENTS KURARAY CO., LTD. (JP) 1996-12-24 US disclosed
EP-0690054-A1 1-Amino-2-cyclohexene derivatives and production process therefor KURARAY CO., LTD. (JP) 1996-01-03 EP disclosed
EP-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed
US-5021444-A Anticoagulants SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed