SCHEMBL22329006

SCHEMBL22329006

Cc1ccc(OC(=O)C(N)/C=C\C(C)N)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ELANE P08246 2/20 0.41
ALDH1A1 P00352 2/20 0.38
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL22329003 0.85 ELANE (0.45) LMNAELANEALDH1A1GAAMAPT
SCHEMBL22329039 0.84 ALDH1A3 (0.45) LMNAELANEALDH1A1MAPTKMT2A
SCHEMBL22329031 0.82 PARP15 (0.41) LMNAELANEALDH1A1GAAMAPT
SCHEMBL27498354 0.79 LMNA (0.55) LMNAELANEALDH1A1PRSS1ACR
SCHEMBL5058438 0.79 LMNA (0.55) LMNAELANEALDH1A1PRSS1ACR
SCHEMBL18295352 0.76 LMNA (0.52) LMNAELANEALDH1A1PRSS1ACR
SCHEMBL26824432 0.76 LMNA (0.52) LMNAELANEALDH1A1PRSS1ACR
SCHEMBL13225899 0.75 LMNA (0.59) LMNAELANEALDH1A1GAAKMT2A
SCHEMBL891415 0.75 ELANE (0.68) LMNAELANEALDH1A1GAAKMT2A
SCHEMBL18411205 0.72 LMNA (0.55) LMNAELANEALDH1A1GAAMAPT

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-2975663-B1 ORGANIC ELECTRONIC ELEMENT COMPRISING FULLERENE DERIVATIVE LG CHEMICAL LTD (KR) 2020-08-12 EP disclosed