SCHEMBL28373232

SCHEMBL28373232

COc1ccc(-n2c(C(=O)O)c(C(=O)O)c(C(=O)O)c2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
MAPT P10636 5/20 0.41
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 2/20 0.38
PDE5A O76074 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 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
SCHEMBL28371946 0.86 NOTUM (0.40) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL28371218 0.86 GAA (0.44) MAPTKDM4EPKMHPGDALOX15
SCHEMBL28375421 0.86 MAPK1 (0.53) NPC1MAPTKDM4ENPSR1MAPK1
SCHEMBL28371747 0.85 CNR1 (0.46) MAPTKDM4ENPSR1MAPK1MEN1
SCHEMBL28376578 0.83 NPC1 (0.42) NPC1MAPTKDM4ENPSR1MAPK1
SCHEMBL15004824 0.83 NPC1 (0.45) NPC1MAPTNPSR1MAPK1CA1
SCHEMBL28371315 0.81 MAPT (0.54) NPC1MAPTKDM4ENPSR1MEN1
SCHEMBL28371877 0.81 ALDH1A1 (0.45) NPC1MAPTKDM4ENPSR1MAPK1
SCHEMBL28376071 0.79 MAPT (0.45) NPC1MAPTKDM4ENPSR1MAPK1
SCHEMBL28371391 0.78 KMT2A (0.44) NPC1MAPTKDM4EMAPK1CA1

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-107434830-B Wide-distribution polypropylene catalyst component, preparation method and catalyst thereof 中国石油天然气股份有限公司 2020-02-14 CN claimed
CN-107434830-B Wide-distribution polypropylene catalyst component, preparation method and catalyst thereof 中国石油天然气股份有限公司 2020-02-14 CN disclosed