SCHEMBL25701638

SCHEMBL25701638

CCOC(=O)C(C)OC(=O)c1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PTGS2 P35354 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CA1 P00915 4/20 0.40
▸ CA2 P00918 4/20 0.40
▸ CA12 O43570 3/20 0.40
▸ CA7 P43166 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ CA14 Q9ULX7 3/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ NOS3 P29474 2/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ NOS2 P35228 2/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL28504064 0.84 MAPT (0.56) SCN1ASCN2ASCN3ANPC1MAPT
SCHEMBL15786344 0.83 CA1 (0.40) SCN1ASCN2ASCN3AMAPTRAB9A
SCHEMBL30876053 0.79 PDCD1 (0.53) NPC1MAPTRAB9AALDH1A1CA1
SCHEMBL9448967 0.78 CA12 (0.66) NPC1MAPTRAB9AALDH1A1CA1
SCHEMBL9734838 0.78 CA12 (0.66) NPC1MAPTRAB9AALDH1A1CA1
SCHEMBL9590127 0.77 LMNA (0.67) SCN1ASCN2ASCN3ANPC1MAPT
SCHEMBL10974887 0.76 NPC1 (0.54) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL25643507 0.76 MAPT (0.43) SCN1ASCN2ASCN3ANPC1MAPT
SCHEMBL31734109 0.76 TP53 (0.46) SCN1ASCN2ASCN3ANPC1MAPT
SCHEMBL27075745 0.75 PTGS2 (0.43) SCN1ASCN2ASCN3ANPC1MAPT

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
US-20230167247-A1 Branched-Blocked Copolymer Photo-Crosslinker Functionalized with Photoreactive Groups and Its Use for Shaping Degradable Photo-Crosslinked Elastomers Suitable for Medical and Tissue-Engineering Applications UNIVERSITE DE MONTPELLIER (FR) 2023-06-01 — — US disclosed
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