SCHEMBL28840200

SCHEMBL28840200

Cc1c(Cl)c(C(=O)O)c(C)c(C(=O)O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCAR2 Q8TDS4 1/20 0.37
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOTUM Q6P988 1/20 0.34
LDHA P00338 2/20 0.34
LDHB P07195 2/20 0.34
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
ACHE P22303 1/20 0.33
PDE10A Q9Y233 1/20 0.32
DAO P14920 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 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
SCHEMBL11654790 0.92 ALDH1A1 (0.41) ALDH1A1MAPK1SMN1; SMN2HCAR2DPP4
SCHEMBL10618701 0.86 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2HCAR2DPP4
SCHEMBL14507766 0.86 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2HCAR2DPP4
SCHEMBL26841743 0.86 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2HCAR2DPP4
SCHEMBL28743710 0.86 ALDH1A1 (0.41) ALDH1A1MAPK1SMN1; SMN2HCAR2DPP4
SCHEMBL7863970 0.84 ALDH1A1 (0.38) ALDH1A1MAPK1SMN1; SMN2HCAR2DPP4
SCHEMBL28055293 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2HCAR2DPP4
SCHEMBL27421518 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2HCAR2DPP4
SCHEMBL7954659 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2HCAR2DPP4
SCHEMBL31643709 0.80 DPP4 (0.40) ALDH1A1MAPK1SMN1; SMN2HCAR2DPP4

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-114746468-A Method for producing polymer 日产化学株式会社 2022-07-12 CN disclosed