SCHEMBL11062043

SCHEMBL11062043

C=CCn1c(=O)ccc2cc(OCCCC(=O)O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.46
PDE3A Q14432 5/20 0.46
P2RY12 Q9H244 3/20 0.46
PDE2A O00408 3/20 0.45
MCL1 Q07820 1/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
PPARD Q03181 1/20 0.42
PLA2G2A P14555 3/20 0.41
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGB5 P18084 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7852404 0.81 CA12 (0.50) KDM4E
SCHEMBL30086904 0.79 PDE3B (0.59) PDE3BPDE3AP2RY12PDE2AMCL1
SCHEMBL15809257 0.79 PDE3B (0.59) PDE3BPDE3AP2RY12PDE2AMCL1
SCHEMBL11062040 0.78 PDE3B (0.55) PDE3BPDE3AP2RY12PDE2AKDM4E
SCHEMBL7306355 0.73 KCNA5 (0.40) PDE3BPDE3AP2RY12KDM4E
SCHEMBL7845649 0.73 CA12 (0.44) KDM4E
SCHEMBL6485891 0.71 KDM4E (0.49) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL20886118 0.71 PTPN7 (0.67) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL30539402 0.71 PTPN7 (0.67) PDE3BPDE3AP2RY12PDE2APPARG
SCHEMBL11003744 0.70 SHMT2 (0.39) KDM4E

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-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed