SCHEMBL8525562

SCHEMBL8525562

CN1Cc2ccccc2N(C)[C@H](CC(=O)O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.39
ITGAV P06756 3/20 0.39
CDC25A P30304 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRKCD Q05655 4/20 0.37
EGFR P00533 1/20 0.37
MTNR1A P48039 2/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL7910284 1.00 ITGB3 (0.39) ITGB3ITGAVCDC25AKDM4EMEN1
SCHEMBL8187421 0.83 ACHE (0.42)
SCHEMBL7919362 0.82 ITGB3 (0.35) ITGB3ITGAVITGA2BTSHRHTT
SCHEMBL7919341 0.82 BRD4 (0.41) ITGB3ITGAVMEN1KMT2AL3MBTL1
SCHEMBL5155939 0.82 ITGB3 (0.41) ITGB3ITGAVMAPTITGA2B
SCHEMBL7441878 0.74 ITGB3 (0.53) ITGB3ITGAVKDM4EL3MBTL1ITGA2B
SCHEMBL7370429 0.73 PKM (0.36) ITGB3ITGAVMEN1KMT2AITGA2B
SCHEMBL8503077 0.71 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL8525235 0.71 ITGB3 (0.68) ITGB3ITGAVL3MBTL1ITGA2B
SCHEMBL7433639 0.70 ITGB3 (0.49) ITGB3ITGAVITGA2B

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
EP-0964928-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1999-12-22 EP claimed
WO-1998029561-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1998-07-09 WO claimed
EP-0964928-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1999-12-22 EP disclosed
WO-1998029561-A1 ENZYMATIC RESOLUTION OF BENZODIAZEPINE-ACETIC ACID ESTERS WITH A LIPASE SMITHKLINE BEECHAM PLC (GB) 1998-07-09 WO disclosed