SCHEMBL29738069

SCHEMBL29738069

COCCNc1cc(C(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ PTGER4 P35408 3/20 0.60
▸ HCAR3 P49019 2/20 0.59
▸ LMNA P02545 5/20 0.56
▸ NPC1 O15118 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ VCAM1 P19320 1/20 0.43
▸ FBP1 P09467 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
SCHEMBL23286252 1.00 MAPT (0.60) MAPTALDH1A1RAB9APTGER4HCAR3
SCHEMBL20266487 0.89 ALDH1A1 (0.67) MAPTALDH1A1RAB9APTGER4HCAR3
SCHEMBL29560026 0.89 ALDH1A1 (0.67) MAPTALDH1A1RAB9APTGER4HCAR3
SCHEMBL3717593 0.88 ALDH1A1 (0.60) MAPTALDH1A1RAB9APTGER4HCAR3
SCHEMBL31425079 0.84 HCAR3 (0.81) MAPTALDH1A1RAB9APTGER4HCAR3
SCHEMBL2314605 0.82 MAPT (0.54) MAPTALDH1A1RAB9APTGER4HCAR3
SCHEMBL742213 0.82 ALDH1A1 (0.58) MAPTALDH1A1RAB9APTGER4HCAR3
SCHEMBL6947578 0.82 ALDH1A1 (0.47) MAPTALDH1A1RAB9APTGER4HCAR3
SCHEMBL1062316 0.82 MAPT (0.47) MAPTALDH1A1RAB9APTGER4HCAR3
SCHEMBL30288971 0.81 HCAR3 (0.50) MAPTALDH1A1RAB9AHCAR3LMNA

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-114630823-A GLP-1R modulating compounds 吉利德科学公司 2022-06-14 — — CN disclosed
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