SCHEMBL6975978

SCHEMBL6975978

Cc1c(C=O)ccc2sccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.44
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KCNJ1 P48048 2/20 0.34
TSHR P16473 1/20 0.33
ERN1 O75460 3/20 0.33
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4444860 0.78 CYP2A6 (0.44) CYP2A6MAPTKDM4EALDH1A1GAA
SCHEMBL6973728 0.77 CYP2A6 (0.43) CYP2A6MAPTKDM4EALDH1A1GAA
SCHEMBL31280833 0.77 CYP2A6 (0.43) CYP2A6ERN1
SCHEMBL6984412 0.77 CYP2A6 (0.47) CYP2A6MAPTKDM4EALDH1A1GAA
SCHEMBL6980313 0.77 CYP2A6 (0.43) CYP2A6MAPTKDM4EALDH1A1GAA
SCHEMBL7067241 0.77 CA1 (0.42) CYP2A6MAPTKDM4EALDH1A1GAA
SCHEMBL2263913 0.76 CYP2A6 (0.57) CYP2A6MAPTKDM4EALDH1A1TSHR
SCHEMBL8404364 0.73 MAPT (0.44) CYP2A6MAPTKDM4EALDH1A1GAA
SCHEMBL4353272 0.71 ALDH1A1 (0.50) CYP2A6ALDH1A1KCNJ1TSHRERN1
SCHEMBL29818681 0.71 ALDH1A1 (0.50) CYP2A6ALDH1A1KCNJ1TSHRERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020427-B1 Agent for potentiating nerve growth factor activity containing 1,2-ethanediol derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2003-10-01 EP disclosed
EP-1223169-A1 Agent for potentiating nerve growth factor activity containg 1,2-ethanediol derivate or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2002-07-17 EP disclosed
EP-0790246-B1 POTENTIATOR FOR NERVE GROWTH FACTOR ACTIVITY CONTAINING 1,2-ETHANEDIOL DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2002-01-16 EP disclosed
US-6103754-A Agent for potentiating nerve growth factor activity containing 1,2-ethanediol derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2000-08-15 US disclosed
EP-1020427-A1 Agent for potentiating nerve growth factor activity containing 1,2-ethanediol derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2000-07-19 EP disclosed
US-6034119-A Agent for potentiating nerve growth factor activity containing 1,2-ethanediol derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2000-03-07 US disclosed
US-5968935-A ADMINISTERING TO TREAT NERVOUS SYSTEM DISORDERS TOYAMA CHEMICAL CO.., LTD. (JP) 1999-10-19 US disclosed
US-5932620-A Agent for potentiating nerve growth factor activity containing 1,2-ethanediol derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-03 US disclosed
US-5922721-A USE IN TREATING ALZHEIMER'S DISEASE, HUNTINGTON'S CHOREA, AMYOTROPHIC LATERAL SCLEROSIS AND TRAUAMTIC NERVE INJURIES TOYAMA CHEMICAL CO., LTD. (JP) 1999-07-13 US disclosed
US-5807887-A COGNITION ACTIVATOR; ALZHEIMER*S, HUNTINGTON DISEASE TOYAMA CHEMICAL CO., LTD. (JP) 1998-09-15 US disclosed
EP-0790246-A1 POTENTIATOR FOR NERVE GROWTH FACTOR ACTIVITY CONTAINING 1,2-ETHANEDIOL DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-08-20 EP disclosed