SCHEMBL4813727

SCHEMBL4813727

C=C(C)C(=O)OC1C2OC(=O)C3C2CC1(C)C3C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL685738 0.74 KDM4E (0.30) KDM4ENPC1POLBMAPTPKM
SCHEMBL10244020 0.72 KDM4E (0.31) KDM4ENPC1POLBMAPTPKM
SCHEMBL10064059 0.70 CYP3A4 (0.31) KDM4ENPC1POLBMAPTPKM
SCHEMBL685126 0.70
SCHEMBL1320977 0.69
SCHEMBL4822313 0.68
SCHEMBL10242702 0.68 KDM4E (0.32) KDM4ENPC1POLBMAPTPKM
SCHEMBL169869 0.68 KDM4E (0.32) KDM4ENPC1POLBMAPTPKM
SCHEMBL685824 0.68 KDM4E (0.30) KDM4ENPC1POLBMAPTPKM
SCHEMBL18270550 0.68 KDM4E (0.34) KDM4ENPC1POLBMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407733-B2 Polymeric compound containing a repeated unit having a 2-oxatricyclo [4.2.1.04,8] nonan-3-one ring and photoresist resin composition DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-08-05 US disclosed
US-20060281022-A1 Polymeric compound containing a repeated unit having a 2-oxatricyclo [4.2.1.0 4.8] nonan-3-one ring and photoresist resin composition DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-12-14 US disclosed