SCHEMBL28848826

SCHEMBL28848826

O=C(O)C(O)c1ccccc1Cl.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
FABP4 P15090 1/20 0.50
FABP5 Q01469 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.49
ACP3 P15309 1/20 0.46
ALDH1A1 P00352 1/20 0.43
IGFBP3 P17936 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CXCL8 P10145 1/20 0.42
CYP2D6 P10635 1/20 0.41
GLS O94925 1/20 0.41
AOC3 Q16853 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL2041252 1.00 LMNA (0.50) LMNAFABP4FABP5MAPK1CASP1
SCHEMBL28162815 0.98 LMNA (0.52) LMNAFABP4FABP5MAPK1CASP1
SCHEMBL29465008 0.98 LMNA (0.52) LMNAFABP4FABP5MAPK1CASP1
SCHEMBL28162814 0.98 LMNA (0.52) LMNAFABP4FABP5MAPK1CASP1
SCHEMBL197618 0.98 LMNA (0.52) LMNAFABP4FABP5MAPK1CASP1
SCHEMBL29501895 0.98 LMNA (0.52) LMNAFABP4FABP5MAPK1CASP1
SCHEMBL24732 0.98 LMNA (0.52) LMNAFABP4FABP5MAPK1CASP1
SCHEMBL24733 0.98 LMNA (0.52) LMNAFABP4FABP5MAPK1CASP1
SCHEMBL29398319 0.98 LMNA (0.52) LMNAFABP4FABP5MAPK1CASP1
Hydrochloric Acid SCHEMBL1374028 0.96 LMNA (0.50) LMNAFABP4FABP5MAPK1CASP1

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-104610050-B One kind hydration o-chloromandelic acid ferromanganese sulfate ferroelectric functional material and preparation method thereof 宁波大学 2017-08-15 CN claimed
CN-104610050-B One kind hydration o-chloromandelic acid ferromanganese sulfate ferroelectric functional material and preparation method thereof 宁波大学 2017-08-15 CN disclosed