SCHEMBL9725809

SCHEMBL9725809

CC(C)COC(O)C(O)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1.CON(C)[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
CAPN1 P07384 2/20 0.45
CTSL P07711 5/20 0.44
CTSK P43235 5/20 0.44
CTSB P07858 3/20 0.44
CTSS P25774 3/20 0.44
PSMB1 P20618 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
TACR1 P25103 2/20 0.41

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
SCHEMBL7293627 0.87 ALDH1A1 (0.58) ALDH1A1ALOX15CAPN1CTSLCTSK
SCHEMBL9725783 0.78 CAPN1 (0.48) CAPN1CTSLCTSKCTSBCTSS
SCHEMBL7293543 0.78 ALDH1A1 (0.61) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL7269500 0.77 CTSL (0.50) CAPN1CTSLCTSKCTSBCTSS
SCHEMBL7270180 0.74 CTSL (0.51) CAPN1CTSLCTSKCTSBCTSS
SCHEMBL9725799 0.73 CTSL (0.48) CAPN1CTSLCTSKCTSBCTSS
SCHEMBL7269259 0.73 EPHX1 (0.47) ALDH1A1
SCHEMBL7287953 0.71 KDM4E (0.40) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL764062 0.71 CTSL (0.68) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL10250520 0.71 CTSL (0.68) ALDH1A1ALOX15CTSLCTSKCTSB

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-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed