SCHEMBL11528503

SCHEMBL11528503

CCCCCC(=O)N(CCNCC(=O)O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 6/20 0.47
KDM4C Q9H3R0 4/20 0.47
KDM5C P41229 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
PHF8 Q9UPP1 3/20 0.46
AKR1B1 P15121 1/20 0.44
EPHX2 P34913 2/20 0.43
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43

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
SCHEMBL14336212 0.87 KDM5A (0.54) KDM5AKDM4CKDM5CKDM5BPHF8
SCHEMBL8188436 0.85 KDM5A (0.55) KDM5AKDM4CKDM5CKDM5BPHF8
SCHEMBL8185356 0.85 KDM5A (0.55) KDM5AKDM4CKDM5CKDM5BPHF8
SCHEMBL5807681 0.85 KDM5A (0.47) KDM5AKDM4CKDM5CKDM5BPHF8
SCHEMBL5806921 0.85 KDM5A (0.47) KDM5AKDM4CKDM5CKDM5BPHF8
SCHEMBL1914762 0.85 KDM5A (0.47) KDM5AKDM4CKDM5CKDM5BPHF8
SCHEMBL1914764 0.85 KDM5A (0.43) KDM5AKDM4CKDM5CKDM5BPHF8
SCHEMBL1960342 0.84 KDM5A (0.46) KDM5AKDM4CKDM5CKDM5BPHF8
SCHEMBL30604057 0.84 KDM5A (0.46) KDM5AKDM4CKDM5CKDM5BPHF8
SCHEMBL11525773 0.84 KDM4C (0.55) KDM5AKDM4CPHF8EPHX2FFAR4

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-4144182-A METALWORKING COOLANTS AND LUBRICANTS; CORROSION RESISTANCE BEREUTER HEINZ 1979-03-13 US disclosed