SCHEMBL11022787

SCHEMBL11022787

CCCCc1[nH]c(=O)c(C#N)cc1C(=O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
KDM4E B2RXH2 11/20 0.44
ALDH1A1 P00352 9/20 0.44
HPGD P15428 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GALR3 O60755 1/20 0.35
TSHR P16473 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL11018929 0.92 PDE3B (0.54) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11021631 0.88 KDM4E (0.43) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11020956 0.88 KDM4E (0.43) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL9475077 0.86 ALDH1A1 (0.46) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11022099 0.86 PDE3B (0.52) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11022549 0.85 ALDH1A1 (0.42) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11021151 0.84 KDM4E (0.43) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11020962 0.82 KDM4E (0.42) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL10853063 0.81 PDE3B (0.51) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11023149 0.81 KDM4E (0.41) PDE3BPDE3AKDM4EALDH1A1HPGD

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
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed