SCHEMBL24408940

SCHEMBL24408940

CCOC(=O)COc1cc(-c2ccc(OC)cc2)n(CC)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FAAH O00519 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMPD1 P17405 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL24409059 0.87 KDM4E (0.44) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL29074649 0.82 MDM2 (0.55) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24424999 0.80 POLB (0.47) ALDH1A1GAAKDM4EHPGDRAB9A
SCHEMBL29074655 0.79 CCKAR (0.50) —
SCHEMBL24409203 0.77 PTPN1 (0.44) MAPTNPC1ALDH1A1GAAKDM4E
SCHEMBL24408948 0.77 KDM4E (0.44) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL24425293 0.76 ALDH1A1 (0.51) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL9268449 0.75 GAA (0.62) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL24409325 0.75 KDM4E (0.50) MAPTNPC1ALDH1A1KDM4EIDO1
SCHEMBL24409110 0.75 CXCR1 (0.48) ALDH1A1GAAKDM4EMEN1KMT2A

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-2022096450-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 — — WO disclosed
Send feedback