SCHEMBL28676243

SCHEMBL28676243

CCOC(=O)CC(CC(=O)OCC)(OC(=O)c1cccc(F)c1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
ELANE P08246 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 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
SCHEMBL28687946 0.86 NPC1 (0.42) NPC1LMNAPOLBTDP1SMN1; SMN2
SCHEMBL28676232 0.85 LMNA (0.43) LMNAPOLBSMN1; SMN2ELANERAB9A
SCHEMBL28676245 0.84 KMT2A (0.48) LMNAPOLBSMN1; SMN2KDM4EADRB2
SCHEMBL9068416 0.84 POLB (0.48) NPC1LMNAPOLBTDP1SMN1; SMN2
SCHEMBL28687825 0.79 KMT2A (0.43) NPC1LMNATDP1ADRB2ADRB1
SCHEMBL31237097 0.78 POLB (0.62) NPC1LMNAPOLBTDP1SMN1; SMN2
SCHEMBL641903 0.78 POLB (0.62) NPC1LMNAPOLBTDP1SMN1; SMN2
SCHEMBL28192130 0.77 TSHR (0.54) LMNAPOLBTDP1KDM4EALDH1A1
SCHEMBL28672166 0.77 TSHR (0.44) NPC1SMN1; SMN2KDM4EADRB2ADRB1
SCHEMBL28687831 0.76 TSHR (0.47) NPC1LMNAPOLBSMN1; SMN2RAB9A

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-107417819-B Solid catalyst component for olefin polymerization, catalyst and application thereof 北京利和知信科技有限公司 2021-11-16 CN disclosed