SCHEMBL10068809

SCHEMBL10068809

COC(=O)c1cc(OCC2CC2)cc(C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.49
PARP10 Q53GL7 4/20 0.49
PARP2 Q9UGN5 2/20 0.49
HSD17B10 Q99714 1/20 0.47
F2 P00734 1/20 0.46
KMT2A Q03164 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KAT6A Q92794 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL10068810 0.94 NR1H4 (0.50) PARP15PARP10PARP2HSD17B10F2
SCHEMBL14813011 0.92 WDR5 (0.48) PARP15PARP10PARP2HSD17B10F2
SCHEMBL30056075 0.91 KAT6A (0.52) PARP15PARP10PARP2HSD17B10F2
SCHEMBL21817404 0.91 KAT6A (0.52) PARP15PARP10PARP2HSD17B10F2
SCHEMBL14164999 0.90 PARP15 (0.47) PARP15PARP10PARP2HSD17B10F2
SCHEMBL16396797 0.90 NOTUM (0.46) PARP15PARP10PARP2HSD17B10F2
SCHEMBL10068795 0.88 WDR5 (0.44) PARP15PARP10PARP2HSD17B10F2
SCHEMBL10068819 0.87 ALDH1A1 (0.43) PARP15PARP10PARP2HSD17B10F2
SCHEMBL21819200 0.87 WDR5 (0.43) PARP15PARP10PARP2HSD17B10F2
SCHEMBL23206842 0.86 PARP15 (0.48) PARP15PARP10PARP2F2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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