SCHEMBL9700392

SCHEMBL9700392

CN(C)CCCN(C)C(=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
KDM4A O75164 12/20 0.37
KDM4C Q9H3R0 12/20 0.37
KDM5A P29375 1/20 0.37
KDM7A Q6ZMT4 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
EPHX2 P34913 1/20 0.36
PAOX Q6QHF9 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9702710 0.85 CA12 (0.36) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL1934062 0.85 ALDH1A1 (0.43) ALDH1A1TSHRKDM4AKDM4CKDM5A
Hydrochloric Acid SCHEMBL9701593 0.83 CA12 (0.35) ALDH1A1KDM4AKDM4CKDM5AKDM7A
SCHEMBL9701275 0.80 BCHE (0.40) ALDH1A1KDM4CKDM5ASMN1; SMN2EPHX2
SCHEMBL25330808 0.78 ALDH1A1 (0.55) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL2498409 0.77 PAOX (0.36) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL28903229 0.76 NOS3 (0.38) ALDH1A1EPHX2
Hydrochloric Acid SCHEMBL10795220 0.76 PAOX (0.35) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL11240727 0.75 CHRM1 (0.44) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL3932905 0.73 ALDH1A1 (0.41) ALDH1A1TSHRKDM4AKDM4CKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132454-A Antihypoxic agents MEIJI SEIKA KAISHA, LTD. (JP) 1992-07-21 US disclosed
US-5066677-A Antihypoxic agents, treatment of disorders resulting from reduced oxygen supply to brain MEIJI SEIKA KAISHA, LTD. (JP) 1991-11-19 US disclosed
EP-0387074-A2 Novel oxamic acid compounds and pharmaceutical composition for use in improvement of damaged cerebral functions of brain MEIJI SEIKA KAISHA LTD. (JP) 1990-09-12 EP disclosed