SCHEMBL9777172

SCHEMBL9777172

CCOC(=O)[C@H](Cc1ccc(OP(=O)(O)O)c(O)c1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.52
▸ CTSK P43235 11/20 0.51
▸ CTSL P07711 6/20 0.51
▸ CTSS P25774 4/20 0.51
▸ CTSB P07858 2/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ HTRA1 Q92743 1/20 0.47
▸ MME P08473 1/20 0.47
▸ ECE1 P42892 1/20 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
Ammonia Solution, Strong SCHEMBL7425286 0.99 CAPN1 (0.51) CAPN1CTSKCTSLCTSSCTSB
Ammonia Solution, Strong SCHEMBL7302333 0.90 MME (0.43) CTSKCTSLCTSSCTSBMME
SCHEMBL9777176 0.89 CAPN1 (0.54) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL17693623 0.85 KYNU (0.53) CTSKCTSLCTSSCTSB
Ammonia Solution, Strong SCHEMBL7300872 0.84 HSD17B10 (0.44) CTSKCTSLCTSSCTSB
SCHEMBL7405358 0.84 CAPN1 (0.70) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7296829 0.82 GRB2 (0.47) —
SCHEMBL7294519 0.81 GRB2 (0.46) —
SCHEMBL27406798 0.80 CAPN1 (0.58) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL27406872 0.79 TYR (0.55) CTSKCTSLCTSSCTSB

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-5073547-A DOPAMINE PRO-DRUG SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1991-12-17 — — US disclosed
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