SCHEMBL9836665

SCHEMBL9836665

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 9/20 0.35
CA9 Q16790 9/20 0.35
CA2 P00918 3/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
GAA P10253 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ATM Q13315 2/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
OPRD1 P41143 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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 0.85 PNMT (0.42) KDM4EHPGDRAB9AMAPK1NPC1
SCHEMBL9835131 0.78 TSHR (0.41) KDM4EHPGDRAB9AMAPK1NPC1
SCHEMBL9834643 0.77 NPC1 (0.38) KDM4EHPGDRAB9AMAPK1NPC1
SCHEMBL9837432 0.76 TBXAS1 (0.36) KDM4EHPGDRAB9AMAPK1NPC1
SCHEMBL9836524 0.76 TBXAS1 (0.43) KDM4EHPGDRAB9AMAPK1NPC1
SCHEMBL10777645 0.75 TBXAS1 (0.39) KDM4EHPGDRAB9AMAPK1NPC1
SCHEMBL9836663 0.75 KDM4E (0.36) KDM4EHPGDRAB9AMAPK1NPC1
SCHEMBL9835986 0.74 TBXAS1 (0.46) KDM4EHPGDRAB9AMAPK1NPC1
SCHEMBL9834823 0.72 TBXAS1 (0.40) KDM4EHPGDRAB9AMAPK1NPC1
SCHEMBL9871091 0.72 TBXAS1 (0.36) KDM4EHPGDRAB9AMAPK1NPC1

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