SCHEMBL9834712

SCHEMBL9834712

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CA12 O43570 10/20 0.34
CA9 Q16790 10/20 0.34
CA2 P00918 4/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TBXAS1 P24557 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL9836665 0.85 KDM4E (0.42) HPGDKDM4ERAB9AMAPK1SMN1; SMN2
SCHEMBL9835131 0.81 TSHR (0.41) HPGDKDM4ERAB9AMAPK1SMN1; SMN2
SCHEMBL9834643 0.80 NPC1 (0.38) HPGDKDM4ERAB9AMAPK1SMN1; SMN2
SCHEMBL9836524 0.79 TBXAS1 (0.43) HPGDKDM4ERAB9AMAPK1SMN1; SMN2
SCHEMBL9836663 0.78 KDM4E (0.36) HPGDKDM4ERAB9AMAPK1SMN1; SMN2
SCHEMBL9835986 0.77 TBXAS1 (0.46) HPGDKDM4ERAB9AMAPK1SMN1; SMN2
SCHEMBL9834823 0.75 TBXAS1 (0.40) HPGDKDM4ERAB9AMAPK1SMN1; SMN2
SCHEMBL9871091 0.75 TBXAS1 (0.36) HPGDKDM4ERAB9AMAPK1SMN1; SMN2
SCHEMBL9835738 0.75 TBXAS1 (0.33) HPGDKDM4ERAB9AMAPK1SMN1; SMN2
SCHEMBL9837432 0.74 TBXAS1 (0.36) HPGDKDM4ERAB9AMAPK1SMN1; SMN2

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