SCHEMBL10068795

SCHEMBL10068795

COC(=O)c1cc(CO)cc(OCC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.44
PARP15 Q460N3 3/20 0.42
PARP10 Q53GL7 3/20 0.42
PARP2 Q9UGN5 2/20 0.42
F2 P00734 1/20 0.42
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
KAT6A Q92794 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL10068809 0.88 PARP15 (0.49) PARP15PARP10PARP2F2KAT6A
SCHEMBL21819200 0.88 WDR5 (0.43) WDR5PARP15PARP10PARP2F2
SCHEMBL30056075 0.86 KAT6A (0.52) PARP15PARP10PARP2F2KAT6A
SCHEMBL21817404 0.86 KAT6A (0.52) PARP15PARP10PARP2F2KAT6A
SCHEMBL14813011 0.84 WDR5 (0.48) WDR5PARP15PARP10PARP2F2
SCHEMBL10068810 0.83 NR1H4 (0.50) PARP15PARP10PARP2F2KAT6A
SCHEMBL16396797 0.82 NOTUM (0.46) PARP15PARP10PARP2F2ADORA2B
SCHEMBL14164999 0.82 PARP15 (0.47) PARP15PARP10PARP2F2ADORA2B
SCHEMBL10068719 0.81 PRKCA (0.47) KMT2AMEN1CYP4F2CYP4A11
SCHEMBL10068819 0.80 ALDH1A1 (0.43) WDR5PARP15PARP10PARP2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102958912-B Benzohydrol derivatives, a preparation process and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2015-01-14 CN disclosed
CN-102958912-A Benzohydrol derivatives, a preparation process and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2013-03-06 CN disclosed
WO-2012019428-A1 BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 WO disclosed