SCHEMBL8087780

SCHEMBL8087780

CC(=O)C(O)(CC(=O)O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CPT2 P23786 2/20 0.33
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACLY P53396 3/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7848438 0.83 LMNA (0.33) LMNAALOX15BLMPMP22
SCHEMBL493898 0.80 ALDH1A1 (0.48) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL2813452 0.74 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL2548829 0.72 CYP2C19 (0.48) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL8943040 0.70 POLB (0.41) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL11803129 0.69 ALDH1A1 (0.60) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL2365215 0.69 ALDH1A1 (0.46) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL13891324 0.69 ALDH1A1 (0.60) HMGCRCHRM1TBXA2RADRA1AALDH1A1
Citric Acid SCHEMBL27703284 0.68 ALDH1A1 (0.75) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL95160 0.68 ALDH1A1 (0.58) HMGCRCHRM1TBXA2RADRA1AALDH1A1

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
JP-2000034260-A PRODUCTION OF MALIC ACID MONOAMIDES AND DETERGENT COMPOSITION CONTAINING THE SAME LION CORP 2000-02-02 JP disclosed