SCHEMBL29001669

SCHEMBL29001669

Nc1ccc(C(=O)O)cc1NCC1CCCCO1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.61
▸ KMT2A Q03164 3/20 0.52
▸ TSHR P16473 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ HPGD P15428 4/20 0.46
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ ALOX12 P18054 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
SCHEMBL29001666 1.00 HCAR3 (0.61) HCAR3KMT2ATSHRHTTMEN1
SCHEMBL28935448 0.97 HCAR3 (0.65) HCAR3KMT2ATSHRHTTMEN1
SCHEMBL28935447 0.97 HCAR3 (0.65) HCAR3KMT2ATSHRHTTMEN1
SCHEMBL28939260 0.97 HCAR3 (0.65) HCAR3KMT2ATSHRHTTMEN1
SCHEMBL20266402 0.94 HCAR3 (0.56) HCAR3KMT2ATSHRHTTMEN1
SCHEMBL20266401 0.94 HCAR3 (0.56) HCAR3KMT2ATSHRHTTMEN1
SCHEMBL24900139 0.88 KMT2A (0.51) HCAR3KMT2ATSHRHTTMEN1
SCHEMBL24900222 0.84 KMT2A (0.55) HCAR3KMT2ATSHRMEN1ALDH1A1
SCHEMBL24900028 0.84 KMT2A (0.55) HCAR3KMT2ATSHRMEN1ALDH1A1
SCHEMBL23286797 0.84 KMT2A (0.55) HCAR3KMT2ATSHRMEN1ALDH1A1

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-116102543-A GLP-1R agonist, synthesis method and application thereof 江南大学 2023-05-12 — — CN disclosed
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