SCHEMBL31256993

SCHEMBL31256993

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.46
▸ CALCRL Q16602 6/20 0.45
▸ RAMP1 O60894 1/20 0.45
▸ XIAP P98170 2/20 0.41
▸ MLX Q9UH92 1/20 0.41
▸ CTSB P07858 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ ELANE P08246 1/20 0.38
▸ CTSK P43235 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 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
SCHEMBL31281377 0.83 CALCRL (0.51) CAPN1CALCRLRAMP1XIAPSLC6A2
SCHEMBL22546193 0.82 XIAP (0.49) CAPN1XIAPCTSBSLC6A2ELANE
SCHEMBL30139053 0.80 CAPN1 (0.42) CAPN1SLC6A2
SCHEMBL30974101 0.80 CALCRL (0.46) CALCRL
SCHEMBL30284980 0.80 CALCRL (0.46) CAPN1CALCRLRAMP1XIAPMLX
SCHEMBL31495942 0.79 CALCRL (0.43) CAPN1CALCRLRAMP1XIAPMLX
SCHEMBL29689606 0.79 XIAP (0.53) XIAPELANE
SCHEMBL31562168 0.79 XIAP (0.43) CAPN1CALCRLRAMP1XIAPMLX
SCHEMBL29473879 0.79 CAPN1 (0.51) CAPN1CTSB
SCHEMBL30054357 0.79 CALCRL (0.41) CAPN1CALCRLRAMP1XIAPMLX

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
US-20240352445-A1 HUMANIZATION, AFFINITY MATURATION, AND OPTIMIZATION METHODS FOR PROTEINS AND ANTIBODIES ABWIZ BIO, INC. 2024-10-24 — — US disclosed
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