SCHEMBL8709109

SCHEMBL8709109

CCOC(=O)C1CCC(=O)CC1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
P2RX7 Q99572 1/20 0.35
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
PKM P14618 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
SCHEMBL12885645 0.90 KDM4E (0.40) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL1225501 0.90 KDM4E (0.40) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL8703906 0.86 POLB (0.39) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL8005995 0.85 GAA (0.35) KDM4EALDH1A1MAPTHSD17B10POLB
SCHEMBL8708085 0.83 POLB (0.40) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL8022828 0.83 TP53 (0.39) KDM4EKMT2APOLBMEN1
SCHEMBL12885639 0.83 KDM4E (0.36) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL1225989 0.83 KDM4E (0.36) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL8703932 0.81 P2RX7 (0.36) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL8707693 0.80 CA1 (0.37) KDM4EMAPTPOLBCA12CA1

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
US-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed