SCHEMBL7450904

SCHEMBL7450904

CC(C)C[C@@H](NO)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 1/20 0.53
FOLH1 Q04609 6/20 0.50
LAP3 P28838 3/20 0.47
RNPEP Q9H4A4 1/20 0.46
SLC7A5 Q01650 1/20 0.46
NAALAD2 Q9Y3Q0 2/20 0.45
PLA2G2A P14555 2/20 0.44
PLA2G5 P39877 2/20 0.44
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
MME P08473 1/20 0.44

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
SCHEMBL818702 1.00 ALDH1A1 (0.61) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL818701 1.00 ALDH1A1 (0.61) ALDH1A1MEN1LMNAKMT2AMAPT
Ammonia Solution, Strong SCHEMBL28224305 0.98 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AMAPT
Propionaldehyde SCHEMBL27094320 0.88 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL1963985 0.86 ALDH1A1 (0.48) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL1963988 0.86 ALDH1A1 (0.48) ALDH1A1MEN1LMNAKMT2AMAPT
Serine SCHEMBL6021449 0.84 SLC7A5 (0.53) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL29742735 0.84 ALDH1A1 (0.55) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL4477148 0.83 FOLH1 (0.65) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL28103641 0.83 FOLH1 (0.65) ALDH1A1MEN1LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108192950-B Synthetic oplophorus luciferase with enhanced light output 普罗梅加公司 2021-09-03 CN disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed