SCHEMBL31257064

SCHEMBL31257064

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)NCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.43
▸ GSTK1 Q9Y2Q3 1/20 0.43
▸ GLO1 Q04760 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ LAP3 P28838 3/20 0.38
▸ CTSB P07858 3/20 0.37
▸ CTSL P07711 3/20 0.37
▸ CTSS P25774 2/20 0.37
▸ CTSK P43235 2/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PSMB11 A5LHX3 2/20 0.36
▸ PSMA7 O14818 2/20 0.36
▸ PSMB1 P20618 2/20 0.36

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
SCHEMBL10861953 0.90 OPRM1 (0.43) PTGS1GSTK1CTSBOPRM1OPRD1
SCHEMBL10861943 0.90 OPRM1 (0.43) PTGS1GSTK1CTSBOPRM1OPRD1
SCHEMBL30051701 0.90 ALDH1A1 (0.43) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL30051918 0.88 ALDH1A1 (0.49) ALDH1A1LMNAMAPTLAP3CTSB
SCHEMBL30661453 0.87 PTGS1 (0.47) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL30661454 0.87 PTGS1 (0.47) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL31036849 0.87 PTGS1 (0.44) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL31461857 0.84 PTGS1 (0.45) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL31111445 0.84 ALDH1A1 (0.41) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL30569782 0.82 PSMB5 (0.54) PTGS1GSTK1ALDH1A1LMNAMAPT

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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