SCHEMBL28555902

SCHEMBL28555902

CCCNC(OC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ SCN1A P35498 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ SCN5A Q14524 1/20 0.48
▸ SCN2A Q99250 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SCN3A Q9NY46 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ TP53 P04637 1/20 0.42

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 0.88 NPC1 (0.49) LMNAMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28277989 0.88 LMNA (0.48) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL28549193 0.86 TDP1 (0.46) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL28543940 0.84 MEN1 (0.50) LMNAMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28279420 0.79 ALDH1A1 (0.44) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL28543665 0.78 LMNA (0.49) CYP2D6TDP1LMNAMEN1KMT2A
SCHEMBL28278050 0.78 CYP2D6 (0.48) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL10974887 0.75 NPC1 (0.54) TDP1LMNAMEN1KMT2ANPC1
SCHEMBL11002878 0.75 LMNA (0.51) TDP1LMNAMEN1KMT2ANPC1
SCHEMBL28543670 0.74 ALDH1A1 (0.44) TDP1LMNAMEN1KMT2ANPC1

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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