SCHEMBL10908452

SCHEMBL10908452

CCOC(=O)C(CCc1ccccc1N(C)C(=O)OCC)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.46
▸ CTSS P25774 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ TACR1 P25103 2/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10908160 0.81 CTSK (0.50) CTSKCTSSALDH1A1MAPTCYP1A2
SCHEMBL10908167 0.80 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL10904975 0.78 CTSK (0.47) CTSKCTSSALDH1A1MAPTCYP1A2
SCHEMBL10905028 0.78 SMN1; SMN2 (0.38) ALDH1A1MAPTHTTSCN9AHPGD
SCHEMBL10908456 0.77 CYP1A2 (0.48) CTSKCTSSALDH1A1MAPTCYP1A2
SCHEMBL1336691 0.75 CTSK (0.51) CTSKCTSSALDH1A1MAPTSCN9A
SCHEMBL8906355 0.75 CYP4F2 (0.55) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7032329 0.74 CTSK (0.68) CTSKCTSSSCN9A
SCHEMBL12560624 0.74 CTSK (0.68) CTSKCTSSSCN9A
SCHEMBL6344320 0.74 CTSK (0.68) CTSKCTSSSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4575503-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1986-03-11 — — US disclosed
US-4473575-A ANGIOTENSIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-09-25 — — US disclosed
US-4410520-A ANGIOTENSION CONVERTING ENZYME INGIBITOR, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-10-18 — — US disclosed
Send feedback