SCHEMBL10431287

SCHEMBL10431287

CCOC(=O)CC1=CSN(C(=O)NC(=O)[C@@H](NC(=O)OCc2ccccc2)[C@@H](C)CC)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 5/20 0.51
▸ CTSL P07711 3/20 0.51
▸ CTSS P25774 3/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CASP3 P42574 2/20 0.44
▸ CTSK P43235 5/20 0.44
▸ MME P08473 1/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ REN P00797 1/20 0.40
▸ PSMB5 P28074 1/20 0.39
▸ CAPN1 P07384 1/20 0.38

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
SCHEMBL10431432 0.91 CTSB (0.52) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL10907806 0.81 CTSK (0.55) CTSBCASP3CTSKREN
SCHEMBL11010919 0.77 CTSB (0.44) CTSBCTSLCTSSCASP3CTSK
SCHEMBL27310595 0.73 CYP3A4 (0.69) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL13888698 0.72 MEN1 (0.74) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8658774 0.72 MEN1 (0.74) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8662503 0.72 CTSB (0.70) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL16270354 0.72 MEN1 (0.70) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL7049933 0.71 CTSB (0.72) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL2446560 0.71 CTSL (0.80) CTSBCTSLCTSSMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400290-A1 5-Amino-4-hydroxyvalerianic acid derivatives useful as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1990-12-05 — — EP disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 — — US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 — — US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 — — US disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 — — EP disclosed
Send feedback