SCHEMBL31039962

SCHEMBL31039962

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDCD1LG2 Q9BQ51 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.46
▸ ECE1 P42892 2/20 0.44
▸ PTGS1 P23219 1/20 0.39
▸ GSTK1 Q9Y2Q3 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ OPRM1 P35372 3/20 0.35
▸ OPRD1 P41143 3/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35

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
SCHEMBL31544025 0.93 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544035 0.93 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544011 0.93 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544050 0.93 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544003 0.93 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544031 0.93 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544046 0.93 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544020 0.93 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544032 0.93 PDCD1LG2 (0.41) PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL1487366 0.92 ECE1 (0.46) PDCD1LG2CD274ECE1PTGS1GSTK1

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
CN-116970080-B Anti-human MFAP5 monoclonal antibody and preparation method thereof, polynucleotide molecule, expression vector and host cell 优睿赛思(武汉)生物科技有限公司 2024-08-13 — — CN disclosed
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