SCHEMBL9834643

SCHEMBL9834643

COC(=O)C1=Cc2cc(C(=O)C3CCCCC3)sc2CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC6 Q9UBN7 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 3/20 0.32
MAPT P10636 1/20 0.32
ACHE P22303 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
ESR1 P03372 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
SCHEMBL9834712 0.80 PNMT (0.42) NPC1RAB9AALDH1A1KDM4EMAPK1
SCHEMBL9836665 0.77 KDM4E (0.42) NPC1RAB9AALDH1A1KDM4EMAPK1
SCHEMBL9836560 0.76 DHODH (0.34) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL9835131 0.74 TSHR (0.41) NPC1RAB9AALDH1A1KDM4EMAPK1
SCHEMBL9722742 0.73 CISD2 (0.46) NPC1RAB9AALDH1A1KDM4EMAPK1
SCHEMBL9836524 0.72 TBXAS1 (0.43) NPC1RAB9AKDM4EMAPK1HPGD
SCHEMBL9836663 0.71 KDM4E (0.36) NPC1RAB9AALDH1A1KDM4EMAPK1
SCHEMBL9835986 0.70 TBXAS1 (0.46) NPC1RAB9AKDM4EMAPK1HPGD
SCHEMBL4176316 0.69 KDM4E (0.44) NPC1RAB9AALDH1A1KDM4EMAPK1
SCHEMBL9834823 0.68 TBXAS1 (0.40) NPC1RAB9AALDH1A1KDM4EMAPK1

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
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