SCHEMBL25977123

SCHEMBL25977123

CC(C)CCOC(C)(C)CCNC(=O)CCC(NC(=O)CCCC(=O)OC(C)(C)C)C(=O)NCCC(C)(C)OCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.43
▸ GLP1R P43220 8/20 0.38
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ CCKBR P32239 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32

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
SCHEMBL23190955 0.94 CAPN1 (0.39) CAPN1GLP1RNMT2NMT1CNR1
SCHEMBL25977092 0.89 TSHR (0.40) CAPN1GLP1RPOLBBCHEACHE
SCHEMBL23190980 0.83 CTSS (0.36) CAPN1GLP1RBCHEACHECCKBR
SCHEMBL19709717 0.80 TSHR (0.33) CAPN1
SCHEMBL22373639 0.77 CAPN1 (0.38) CAPN1NMT2NMT1BCHEACHE
SCHEMBL19505993 0.75 CAPN1 (0.33) CAPN1GLP1RBCHEACHECCKBR
SCHEMBL19450704 0.74 CAPN1 (0.37) CAPN1GLP1RBCHEACHECCKBR
SCHEMBL18885706 0.73 CYP2D6 (0.33) CTSK
SCHEMBL17663638 0.72 CNR1 (0.38) CNR1CNR2HPGD
SCHEMBL20998090 0.72 CAPN1 (0.33) CAPN1BCHEACHECCKBRCTSS

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
EP-3220956-B1 CONJUGATES AND CONJUGATING REAGENTS ABZENA UK LTD (GB) 2023-08-09 — — EP disclosed
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