SCHEMBL7575659

SCHEMBL7575659

CC(=O)O[C@H](CBr)CC(=O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
HRH1 P35367 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP12 P39900 1/20 0.35
PGD P52209 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL4923275 0.84 LMNA (0.58) LMNASMN1; SMN2ALOX15MEN1CYP1A2
SCHEMBL4923280 0.84 LMNA (0.58) LMNASMN1; SMN2ALOX15MEN1CYP1A2
SCHEMBL4928056 0.84 LMNA (0.58) LMNASMN1; SMN2ALOX15MEN1CYP1A2
SCHEMBL1116238 0.77
SCHEMBL4940791 0.75 SMN1; SMN2 (0.39) LMNASMN1; SMN2ALOX15MEN1CYP1A2
SCHEMBL4937252 0.75 SMN1; SMN2 (0.39) LMNASMN1; SMN2ALOX15MEN1CYP1A2
SCHEMBL4937258 0.75 SMN1; SMN2 (0.39) LMNASMN1; SMN2ALOX15MEN1CYP1A2
SCHEMBL7753066 0.74 MEN1 (0.36) LMNASMN1; SMN2ALOX15MEN1CYP1A2
SCHEMBL6153718 0.71 LMNA (0.67) LMNASMN1; SMN2ALOX15MEN1CYP1A2
SCHEMBL10607274 0.70

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
WO-2002096915-A1 PROCESS FOR PRODUCING OPTICALLY PURE Δ - HYDROXY-Β -KETOESTER DERIVATIVES SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2002-12-05 WO disclosed