SCHEMBL686843

SCHEMBL686843

COc1cccc(Cn2ccc(O)c(NC(=O)N[C@@H](CC(=O)O)c3ccc(C)cc3)c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PTGER3 P43115 6/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 1/20 0.45
CTSA P10619 1/20 0.44
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RY14 Q15391 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL688357 0.91 POLB (0.41) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL687369 0.90 WDR5 (0.44) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL688264 0.90 LCK (0.47) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL688110 0.89 MEN1 (0.49) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL687932 0.88 EGLN1 (0.44) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL687335 0.87 CTSA (0.43) CTSAPOLB
SCHEMBL687511 0.87 MEN1 (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL688277 0.87 MEN1 (0.39) MEN1KMT2AKDM4EALDH1A1CTSA
SCHEMBL688248 0.87 POLB (0.39) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL688548 0.86 MAPT (0.64) MAPTMEN1KMT2APTGER3KDM4E

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
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed