SCHEMBL30670484

SCHEMBL30670484

O=C(O)C(O)c1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
MAPK1 P28482 1/20 0.52
GLS O94925 1/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN7 P35236 1/20 0.41
BLM P54132 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
SRC P12931 2/20 0.38
CYP2D6 P10635 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38

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
SCHEMBL196781 1.00 LMNA (0.52) LMNAMAPK1GLSHTTKMT2A
SCHEMBL196782 1.00 LMNA (0.52) LMNAMAPK1GLSHTTKMT2A
SCHEMBL8127769 1.00 LMNA (0.52) LMNAMAPK1GLSHTTKMT2A
SCHEMBL275598 0.84 LMNA (0.64) LMNAMAPK1KMT2APOLBPKM
SCHEMBL9744991 0.82 CES2 (0.57) LMNAMAPK1GLSHTTKMT2A
SCHEMBL29172241 0.81 HTT (0.45) LMNAMAPK1GLSHTTIDO1
SCHEMBL18512243 0.80 CES2 (0.45) LMNAMAPK1GLSHTTKMT2A
SCHEMBL26669676 0.80 CES2 (0.45) LMNAMAPK1GLSHTTKMT2A
SCHEMBL28553187 0.80 HPGD (0.42) LMNAMAPK1GLSHTTKMT2A
SCHEMBL20930584 0.80 CYP2D6 (0.50) LMNAMAPK1HTTKMT2AIDO1

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
CN-108047033-B Reaction device and method for preparing mandelic acid compound 江西科苑生物药业有限公司 2023-12-01 CN disclosed