SCHEMBL28360264

SCHEMBL28360264

CC(=O)Cl.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
KMT2A Q03164 1/20 0.55
ITGB1 P05556 8/20 0.55
ITGA4 P13612 8/20 0.55
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
ITGB7 P26010 4/20 0.50
ACE P12821 1/20 0.50
ITGA2 P17301 1/20 0.50
PTPN1 P18031 1/20 0.50
MME P08473 1/20 0.49
CCKAR P32238 1/20 0.48
CCKBR P32239 1/20 0.48

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
SCHEMBL30118392 0.94 L3MBTL1 (0.74) L3MBTL1KMT2AITGB1ITGA4CTSV
SCHEMBL16993893 0.94 L3MBTL1 (0.74) L3MBTL1KMT2AITGB1ITGA4CTSV
SCHEMBL9716620 0.94 L3MBTL1 (0.74) L3MBTL1KMT2AITGB1ITGA4CTSV
SCHEMBL4172927 0.82 ATM (0.59) L3MBTL1CTSVCTSLCTSSCTSK
SCHEMBL28595293 0.82 ATM (0.59) L3MBTL1CTSVCTSLCTSSCTSK
SCHEMBL4166643 0.81 L3MBTL1 (0.63) L3MBTL1KMT2AITGB1ITGA4ACE
SCHEMBL4167694 0.81 POLB (0.63) L3MBTL1KMT2AITGB1ITGA4CTSV
Afalanine SCHEMBL28376575 0.81 CTSS (0.60) L3MBTL1CTSSCTSKACEMME
SCHEMBL16993943 0.80 ITGB1 (0.67) L3MBTL1ITGB1ITGA4ITGB7
SCHEMBL16993942 0.80 ITGB1 (0.67) L3MBTL1ITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669028-B Butenolide compounds of actinomycetes from elephant intestinal tract and application thereof 南方医科大学 2023-01-10 CN disclosed
CN-110669028-A Butenolide compounds of actinomycetes from elephant intestinal tract and application thereof 南方医科大学 2020-01-10 CN disclosed