SCHEMBL28375421

SCHEMBL28375421

COC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)n1-c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
NPC1 O15118 1/20 0.49
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL28371877 0.86 ALDH1A1 (0.45) MAPK1NPC1MAPTSMN1; SMN2PKM
SCHEMBL28373232 0.86 NPC1 (0.44) MAPK1NPC1MAPTSMN1; SMN2PKM
SCHEMBL28371315 0.86 MAPT (0.54) NPC1MAPTSMN1; SMN2HPGDHTT
SCHEMBL28375144 0.86 ALDH1A1 (0.48) MAPTSMN1; SMN2PKMHPGDALOX15
SCHEMBL28079273 0.85 MAPK1 (0.53) MAPK1NPC1MAPTSMN1; SMN2PKM
SCHEMBL28371343 0.85 HPGD (0.47) MAPK1HPGDHSD17B10KDM4ENPSR1
SCHEMBL28376071 0.84 MAPT (0.45) MAPK1NPC1MAPTSMN1; SMN2PKM
SCHEMBL28371391 0.83 KMT2A (0.44) MAPK1NPC1MAPTSMN1; SMN2TSHR
SCHEMBL28376578 0.83 NPC1 (0.42) MAPK1NPC1MAPTSMN1; SMN2PKM
SCHEMBL15004854 0.81 MAPK1 (0.58) MAPK1NPC1MAPTSMN1; SMN2PKM

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-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