SCHEMBL7895358

SCHEMBL7895358

COC(=O)C1C=CCC1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC4 P56524 1/20 0.35
MAPT P10636 1/20 0.35
ITGA4 P13612 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7894407 0.82 HDAC4 (0.38) L3MBTL1ALDH1A1HDAC4KMT2ACYP2C19
SCHEMBL17374488 0.71 L3MBTL1 (0.48) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL17883760 0.71 L3MBTL1 (0.48) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL18426527 0.71 L3MBTL1 (0.48) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL28179357 0.68 CYP1A2 (0.43) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16976697 0.67 ALDH1A1 (0.43) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL12605298 0.67 ALDH1A1 (0.43) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL12861394 0.67 CHRNB2 (0.46) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL3779237 0.66 ALDH1A1 (0.42) ALDH1A1NPSR1MAPTRAB9AKMT2A
SCHEMBL11393341 0.66 ALDH1A1 (0.39) L3MBTL1ALDH1A1MAPTITGA4RAB9A

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
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed
US-5994312-A Peptidyl compounds DARWIN DISCOVERY, LTD. (GB) 1999-11-30 US disclosed