SCHEMBL11047397

SCHEMBL11047397

CC(C)(C)OC(=O)N(C(=O)C(N)Cc1ccccc1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
SLC15A1 P46059 2/20 0.40
ATM Q13315 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ACE P12821 1/20 0.39
SRR Q9GZT4 2/20 0.38
LTA4H P09960 2/20 0.38
CTSS P25774 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 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
SCHEMBL7269530 0.91 SLC7A5 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL3489862 0.91 ANPEP (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28942525 0.89 SLC7A5 (0.43) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8392929 0.88 ATM (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9321962 0.88 ATM (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL11651226 0.88 ATM (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6548736 0.86 ITGA4 (0.44) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28958862 0.85 ATM (0.43) SLC7A5ATMITGA4ITGB7ACE
SCHEMBL10584413 0.84 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2479478 0.84 CA12 (0.42) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773295-B Synthesis method of monosubstituted dihydro chromone and application of monosubstituted dihydro chromone in treatment of pulmonary inflammation such as COPD (chronic disease) 广东省科学院动物研究所 2023-06-20 CN disclosed
CN-113773295-A Synthesis method of mono-substituted dihydrochromone and application of mono-substituted dihydrochromone in treating lung inflammation such as COPD (chronic obstructive pulmonary disease) 广东省科学院动物研究所 2021-12-10 CN disclosed
US-4439360-A Retro-inverso analogues of C-terminal penta and hexapeptides of Substance P ANIC S.P.A. (IT) 1984-03-27 US disclosed
EP-0082568-A2 Retro-inverso analogues of C-terminal penta and hexapeptides of substance P. ANIC S.p.A. (IT) 1983-06-29 EP disclosed