SCHEMBL28543940

SCHEMBL28543940

CCOC(=O)C(NC)OC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TSHR P16473 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ PIN1 Q13526 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL28555774 0.86 NPC1 (0.49) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL28279373 0.85 LMNA (0.50) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL28555902 0.84 HTR1A (0.48) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL27960013 0.83 TSHR (0.47) NPC1SMN1; SMN2RAB9AGAALMNA
SCHEMBL28549178 0.81 ELANE (0.46) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL27408890 0.81 MEN1 (0.53) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL10974887 0.79 NPC1 (0.54) MEN1KMT2ANPC1SMN1; SMN2RAB9A
Ethyl Benzoate SCHEMBL950673 0.78 SMN1; SMN2 (0.68) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL28278100 0.78 NPC1 (0.53) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL7595063 0.77 MEN1 (0.49) MEN1KMT2ANPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 — — CN disclosed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 — — CN disclosed
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