SCHEMBL25977092

SCHEMBL25977092

COCCCOC(C)(C)CCNC(=O)CCC(NC(=O)CCCC(=O)OC(C)(C)C)C(=O)NCCC(C)(C)OCCCOC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ CAPN1 P07384 1/20 0.38
▸ GLP1R P43220 8/20 0.38
▸ CCKBR P32239 2/20 0.35
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ LPAR3 Q9UBY5 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
SCHEMBL23190955 0.95 CAPN1 (0.39) TSHRCAPN1GLP1RCCKBRBCHE
SCHEMBL23190980 0.94 CTSS (0.36) TSHRCAPN1GLP1RCCKBRBCHE
SCHEMBL25977123 0.89 CAPN1 (0.43) CAPN1GLP1RCCKBRBCHEACHE
SCHEMBL19709717 0.77 TSHR (0.33) TSHRCAPN1
SCHEMBL19505993 0.77 CAPN1 (0.33) CAPN1GLP1RCCKBRBCHEACHE
SCHEMBL27051067 0.76 LPAR3 (0.50) CAPN1GLP1RLPAR3
SCHEMBL19450704 0.73 CAPN1 (0.37) CAPN1GLP1RCCKBRBCHEACHE
SCHEMBL20998090 0.73 CAPN1 (0.33) CAPN1CCKBRBCHEACHE
SCHEMBL29467661 0.72 GLP1R (0.43) CAPN1GLP1R
SCHEMBL22373639 0.70 CAPN1 (0.38) CAPN1BCHEACHE

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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