SCHEMBL9770915

SCHEMBL9770915

NC(C(=O)OCc1ccccc1)[C@@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.53
METAP1 P53582 5/20 0.53
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LTA4H P09960 1/20 0.43
LAP3 P28838 1/20 0.43
ALDH1A1 P00352 1/20 0.42
EPHX1 P07099 1/20 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
SCHEMBL6479809 0.83 IDO1 (0.52) METAP2METAP1CTSLCTSBCTSS
SCHEMBL8759874 0.82 METAP2 (0.47) METAP2METAP1CTSLCTSBCTSS
Hydrochloric Acid SCHEMBL3825774 0.82 IDO1 (0.51) METAP2METAP1CTSLCTSBCTSS
Hydrochloric Acid SCHEMBL7297833 0.82 IDO1 (0.51) METAP2METAP1CTSLCTSBCTSS
SCHEMBL13017759 0.81 CTSB (0.49) METAP2METAP1CTSLCTSBCTSS
SCHEMBL6473457 0.81 IDO1 (0.53) METAP2METAP1CTSLCTSBCTSS
SCHEMBL7442293 0.81 CTSB (0.49) METAP2METAP1CTSLCTSBCTSS
SCHEMBL5981841 0.81 CTSB (0.49) METAP2METAP1CTSLCTSBCTSS
SCHEMBL10445626 0.81 METAP2 (0.52) METAP2METAP1CTSLCTSBCTSS
SCHEMBL7300665 0.81 METAP2 (0.47) METAP2METAP1CTSLCTSBCTSS

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-5045537-A Treating Diseases Caused by Retroviruses SANDOZ LTD. (CH) 1991-09-03 US disclosed