SCHEMBL10908049

SCHEMBL10908049

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NC(=O)CCN1CCOCC1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.49
▸ CTSL P07711 3/20 0.49
▸ CTSB P07858 4/20 0.47
▸ PSMB5 P28074 4/20 0.46
▸ CAPN1 P07384 2/20 0.45
▸ REN P00797 2/20 0.45
▸ HTRA1 Q92743 1/20 0.45
▸ PSMB11 A5LHX3 1/20 0.43
▸ PSMD11 O00231 1/20 0.43
▸ PSMD12 O00232 1/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ PSMA7 O14818 1/20 0.43
▸ PSMD3 O43242 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ PSMC3 P17980 1/20 0.43
▸ PSMB1 P20618 1/20 0.43
▸ CYP3A5 P20815 1/20 0.43
▸ CYP3A7 P24462 1/20 0.43
▸ PSMA1 P25786 1/20 0.43
▸ PSMA2 P25787 1/20 0.43

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
SCHEMBL11011701 0.91 ITGB3 (0.45) CTSKCTSLCTSB
SCHEMBL10908290 0.90 CTSK (0.52) CTSKCTSLCTSBPSMB5REN
SCHEMBL10905624 0.89 CTSK (0.58) CTSKCTSLCTSBPSMB5CAPN1
SCHEMBL10908060 0.88 CTSK (0.51) CTSKCTSLCTSBCAPN1REN
SCHEMBL10909784 0.87 CTSK (0.45) CTSKCTSLCTSBCAPN1REN
SCHEMBL10909559 0.87 CTSK (0.51) CTSKCTSLCTSBCAPN1REN
SCHEMBL10905777 0.85 CTSK (0.49) CTSKCTSLCTSBCAPN1REN
SCHEMBL10907948 0.84 REN (0.48) CTSKCTSBCAPN1RENHTRA1
SCHEMBL10908231 0.84 CTSK (0.47) CTSKCTSLCTSBCAPN1REN
SCHEMBL10909782 0.83 REN (0.48) CTSKCTSBCAPN1RENHTRA1

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-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 — — US disclosed
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