SCHEMBL9747979

SCHEMBL9747979

C=C(CCCNC(=O)NCCN(CC)CC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.39
EPHX1 P07099 5/20 0.38
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
TSHR P16473 1/20 0.37
ACHE P22303 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
PRMT1 Q99873 1/20 0.37
PAOX Q6QHF9 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
EPHX2 P34913 2/20 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
SCHEMBL8549462 0.82 EPHX1 (0.55) EPHX1PRMT1EPHX2
SCHEMBL21173 0.79 PAOX (0.41) ALDH1A1GAALMNAACHEPAOX
SCHEMBL4940443 0.79 KMT2A (0.59) KMT2AALDH1A1LMNAEPHX1SLC22A2
Hydrochloric Acid SCHEMBL1396446 0.78 PAOX (0.40) ALDH1A1GAALMNAACHEPAOX
SCHEMBL20935 0.78 KDM5A (0.44) ALDH1A1GAAACHEPAOXSIGMAR1
SCHEMBL8849928 0.76 PAOX (0.46) ALDH1A1GAATSHRACHEPAOX
SCHEMBL8849800 0.76 PAOX (0.46) ALDH1A1GAATSHRACHEPAOX
SCHEMBL2373700 0.76 KDM5A (0.42) ALDH1A1GAAACHEPAOXSIGMAR1
SCHEMBL6143382 0.76 PAOX (0.39) ALDH1A1GAALMNAACHEPAOX
SCHEMBL8850169 0.76 PAOX (0.46) ALDH1A1GAATSHRACHEPAOX

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-0199306-B1 WASH-OFF FILM CONTAINING SYNTHETIC AMPHOTERIC POLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-11 EP claimed