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Sugi Predict / Compounds / SCHEMBL19089075

SCHEMBL19089075

SCHEMBL19089075

C[C@H](O)[C@@H](CCOC[C@H](NC(=O)OCc1ccccc1)C(=O)O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.50
▸ CTSB P07858 3/20 0.50
▸ ITGB3 P05106 6/20 0.49
▸ ITGA2B P08514 6/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSS P25774 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ PPARA Q07869 1/20 0.47
▸ TACR1 P25103 2/20 0.47

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
SCHEMBL19066637 1.00 CTSL (0.50) CTSLCTSBITGB3ITGA2BCTSK
SCHEMBL19089214 0.93 ALDH1A1 (0.53) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL19066638 0.93 ALDH1A1 (0.53) CTSLCTSBCTSKCTSSALDH1A1
SCHEMBL31456236 0.86 CTSK (0.56) CTSLCTSBCTSKCTSSPPARA
SCHEMBL31456215 0.86 CTSK (0.56) CTSLCTSBCTSKCTSSPPARA
SCHEMBL22091978 0.83 CTSK (0.50) CTSLCTSBITGB3ITGA2BCTSK
SCHEMBL22108924 0.83 CTSK (0.50) CTSLCTSBITGB3ITGA2BCTSK
SCHEMBL22091979 0.83 CTSK (0.50) CTSLCTSBITGB3ITGA2BCTSK
SCHEMBL21837546 0.82 PPARA (0.58) CTSLCTSBITGB3ITGA2BCTSK
SCHEMBL21837541 0.82 PPARA (0.58) CTSLCTSBITGB3ITGA2BCTSK

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
WO-2017116949-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2017-07-06 — — WO disclosed