SCHEMBL29649537

SCHEMBL29649537

COC(=O)C(O)c1ccc(NC(=O)[C@H](CCCCNC(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)NC(=O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.42
SIRT2 Q8IXJ6 9/20 0.40
SIRT1 Q96EB6 9/20 0.40
SIRT3 Q9NTG7 3/20 0.40
SIRT5 Q9NXA8 2/20 0.39
OPRK1 P41145 1/20 0.39
REN P00797 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
EED O75530 1/20 0.37

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
SCHEMBL29649439 0.88 MAPK1 (0.39) SSTR3SIRT2SIRT1SIRT3SIRT5
SCHEMBL26024799 0.87 SSTR3 (0.47) SSTR3SIRT2SIRT1SIRT3SIRT5
SCHEMBL29649482 0.87 LTA4H (0.41)
SCHEMBL26015644 0.85 SSTR3 (0.47) SSTR3SIRT2SIRT1SIRT3SIRT5
SCHEMBL29649613 0.84 PTPN1 (0.42) SSTR3SIRT2SIRT1
SCHEMBL31677997 0.83 GNPAT (0.47) OPRK1
SCHEMBL12476215 0.83 HDAC8 (0.44) SSTR3SIRT1
SCHEMBL12476216 0.83 HDAC8 (0.44) SSTR3SIRT1
SCHEMBL12683176 0.83 HDAC8 (0.44) SSTR3SIRT1
SCHEMBL29649562 0.82 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237008-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF Elucida Oncology, Inc. (US) 2023-09-06 EP disclosed
WO-2022093800-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. (US) 2022-05-05 WO disclosed