SCHEMBL28048040

SCHEMBL28048040

O=C(O)c1ccc(CC2CCCC2)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 2/20 0.48
KDM5B Q9UGL1 2/20 0.43
KDM5A P29375 1/20 0.42
KMT2A Q03164 2/20 0.41
KMO O15229 1/20 0.41
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPN1 P18031 1/20 0.39
CEL P19835 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
RARB P10826 1/20 0.39

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
SCHEMBL27741282 0.98 PPM1D (0.50) PPM1DKDM5BKDM5AKMT2AKMO
SCHEMBL28105519 0.97 PPM1D (0.45) PPM1DKDM5BKDM5AKMT2AKMO
SCHEMBL28047118 0.93 KDM4E (0.42) PPM1DKMT2AGAAKDM4EPTPN1
SCHEMBL29446092 0.89 PPM1D (0.49) PPM1DKDM5BKDM5AKMT2AKMO
SCHEMBL3853181 0.87 PPM1D (0.51) PPM1DKDM5BKDM5AKMT2AKMO
SCHEMBL27762499 0.86 KDM1A (0.43) PPM1DKMT2AKDM4EPTPN1
SCHEMBL28835261 0.86 GRIK1 (0.38) PPM1DKMT2AKDM4EPTPN1ALDH1A1
SCHEMBL28056027 0.84 PPM1D (0.47) PPM1DKMT2AKMOHSD17B10GAA
SCHEMBL28056103 0.81 PPM1D (0.44) PPM1DKMT2AHSD17B10GAAKDM4E
SCHEMBL27682569 0.81 HCAR3 (0.36) PPM1DKMT2AKMOHSD17B10GAA

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
CN-105130986-A Pyrimidine or pyridino-pyridone compound and application thereof GUANGZHOU KEQIN NEW MEDICINE DEV CO LTD 2015-12-09 CN disclosed