SCHEMBL29168371

SCHEMBL29168371

CC(C)CC(C(=O)O)N(C)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ PNMT P11086 1/20 0.40
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PTGER1 P34995 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32

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
SCHEMBL26981184 0.89 PNMT (0.41) CTSKCTSLCTSBCTSSPNMT
SCHEMBL6022733 0.88 ITGB3 (0.44) CTSKCTSLCTSBCTSSPNMT
SCHEMBL6022774 0.88 ITGB3 (0.44) CTSKCTSLCTSBCTSSPNMT
SCHEMBL30940320 0.87 PNMT (0.43) PNMTNPC1RAB9APTGER1PTGER4
SCHEMBL27658685 0.85 PNMT (0.38) CTSKCTSLCTSBCTSSPNMT
SCHEMBL28333729 0.85 PNMT (0.38) CTSKCTSLCTSBCTSSPNMT
Hydrochloric Acid SCHEMBL28300337 0.84 PNMT (0.38) CTSKCTSLCTSBCTSSPNMT
Triphenylmethanol SCHEMBL15361971 0.82 PNMT (0.36) PNMTNPC1RAB9AITGB3ITGA2B
SCHEMBL29168333 0.82 PNMT (0.41) CTSKCTSLCTSBCTSSPNMT
SCHEMBL30940318 0.80 PNMT (0.34) CTSKCTSLCTSBCTSSPNMT

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
CN-117361825-B Heavy metal treatment method for livestock and poultry manure 江西正合生态农业有限公司 2024-10-01 — — CN disclosed
CN-117361825-A Heavy metal treatment method for livestock and poultry manure 江西正合生态农业有限公司 2024-01-09 — — CN disclosed
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