SCHEMBL25387292

SCHEMBL25387292

CCOC(=O)Cc1cc(OC)c(OC(F)F)cc1C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.43
▸ GAA P10253 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KCNK3 O14649 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37

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
SCHEMBL30575766 1.00 DPP4 (0.43) DPP4GAAALDH1A1KMT2AMAPT
SCHEMBL30575737 0.89 DPP4 (0.50) DPP4GAAALDH1A1KMT2AMAPT
SCHEMBL11377134 0.89 DPP4 (0.50) DPP4GAAALDH1A1KMT2AMAPT
SCHEMBL31609504 0.83 DPP4 (0.45) DPP4GAAALDH1A1KMT2AMAPT
SCHEMBL11375452 0.81 DPP4 (0.46) DPP4GAAALDH1A1KMT2AMAPT
SCHEMBL25386161 0.81 LCK (0.49) DPP4GAAALDH1A1KMT2AMAPT
SCHEMBL25387590 0.80 HSD17B2 (0.51) DPP4GAAALDH1A1KMT2AMAPT
SCHEMBL31609590 0.80 DPP4 (0.41) DPP4GAAALDH1A1KMT2AMAPT
SCHEMBL31609523 0.79 DPP4 (0.42) DPP4GAAALDH1A1KMT2AMAPT
SCHEMBL13469397 0.78 KMT2A (0.53) DPP4GAAALDH1A1KMT2AMAPT

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-2023165591-A1 COMPOUNDS AND THEIR USES AS LPAR5 ANTAGONISTS IMMUTHER PHARMATECH (SHANGHAI) CO., LTD. (CN) 2023-09-07 — — WO disclosed
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