SCHEMBL9701323

SCHEMBL9701323

CCN(CC)CCNC(=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 2/20 0.46
ACHE P22303 2/20 0.46
KMT2A Q03164 1/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 2/20 0.45
PMP22 Q01453 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP3A4 P08684 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41

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
Hydrochloric Acid SCHEMBL9701581 0.98 LMNA (0.47) SIGMAR1ALDH1A1LMNAACHEKMT2A
SCHEMBL13655355 0.89 ALDH1A1 (0.53) SIGMAR1ALDH1A1LMNAACHEKMT2A
SCHEMBL9700334 0.88 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AKDM4ECYP2D6
Methacrylic Acid SCHEMBL8762478 0.83 ALDH1A1 (0.43) SIGMAR1ALDH1A1LMNAACHEKMT2A
SCHEMBL2835194 0.82 ALDH1A1 (0.49) SIGMAR1ALDH1A1LMNAACHEKMT2A
SCHEMBL7241259 0.81 ALDH1A1 (0.48) ALDH1A1LMNAACHEKMT2ASLC22A2
SCHEMBL3634362 0.81 ALDH1A1 (0.49) SIGMAR1ALDH1A1LMNAACHEKMT2A
Acetic Acid SCHEMBL8192294 0.80 ALDH1A1 (0.44) SIGMAR1ALDH1A1LMNAACHEKMT2A
SCHEMBL4940443 0.79 KMT2A (0.59) ALDH1A1LMNAACHEKMT2ASLC22A2
SCHEMBL93180 0.79 ALDH1A1 (0.47) SIGMAR1ALDH1A1LMNAACHEKMT2A

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