SCHEMBL25128579

SCHEMBL25128579

CCC(=O)[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)CCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.45
▸ TSHR P16473 1/20 0.39
▸ BRD4 O60885 2/20 0.37
▸ NOD1 Q9Y239 2/20 0.35
▸ FOLH1 Q04609 2/20 0.35
▸ NMT2 O60551 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ LPAR3 Q9UBY5 2/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL25128366 1.00 GLP1R (0.45) GLP1RTSHRBRD4NOD1FOLH1
SCHEMBL24581687 1.00 GLP1R (0.45) GLP1RTSHRBRD4NOD1FOLH1
SCHEMBL25128875 0.94 GLP1R (0.48) GLP1RTSHRNOD1FOLH1NMT2
SCHEMBL25128374 0.88 GLP1R (0.43) GLP1RTSHRBRD4NOD1FOLH1
SCHEMBL27312935 0.88 GLP1R (0.43) GLP1RTSHRBRD4NOD1FOLH1
SCHEMBL27312248 0.88 GLP1R (0.43) GLP1RTSHRBRD4NOD1FOLH1
SCHEMBL25129007 0.88 GLP1R (0.43) GLP1RTSHRBRD4NOD1FOLH1
SCHEMBL25128368 0.88 GLP1R (0.43) GLP1RTSHRBRD4NOD1FOLH1
SCHEMBL25128698 0.85 TSHR (0.43) GLP1RTSHRFOLH1HPGD
SCHEMBL23729451 0.83 TSHR (0.51) GLP1RTSHRBRD4HPGD

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
WO-2023040793-A1 ANTI-INFLAMMATORY COMPOUND AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-03-23 — — WO disclosed
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