SCHEMBL21794720

SCHEMBL21794720

CCOC(=O)C(CCSC)NC(=O)N(CC)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 3/20 0.49
▸ FNTB P49356 3/20 0.49
▸ PPID Q08752 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CRHBP P24387 2/20 0.40
▸ CRHR2 Q13324 2/20 0.40
▸ MMP1 P03956 2/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL23712605 1.00 FNTA (0.49) FNTAFNTBPPIDALDH1A1MAPT
SCHEMBL23699693 0.89 FNTA (0.61) FNTAFNTBALDH1A1CRHBPCRHR2
SCHEMBL23699692 0.89 FNTA (0.61) FNTAFNTBALDH1A1CRHBPCRHR2
SCHEMBL21794498 0.85 PPID (0.65) PPIDALDH1A1L3MBTL1
SCHEMBL21794497 0.85 PPID (0.65) PPIDALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL30638083 0.85 PPID (0.64) PPIDALDH1A1L3MBTL1
SCHEMBL21776958 0.84 FNTA (0.48) FNTAFNTBALDH1A1CRHBPCRHR2
SCHEMBL21776957 0.84 FNTA (0.48) FNTAFNTBALDH1A1CRHBPCRHR2
SCHEMBL21794878 0.75 LMNA (0.49) ALDH1A1MAPTCRHBPCRHR2MMP1
SCHEMBL4421021 0.73 ALDH1A1 (0.49) FNTAFNTBPPIDALDH1A1MAPT

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
WO-2020043831-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2020-03-05 — — WO disclosed
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