SCHEMBL4699864

SCHEMBL4699864

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 4/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ITGB3 P05106 5/20 0.43
ITGAV P06756 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
ITGA2B P08514 4/20 0.41
FOLH1 Q04609 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4700500 0.93 POLB (0.43) MAPTALDH1A1NPSR1LMNAMEN1
SCHEMBL7900088 0.92 HPGD (0.46) MAPTALDH1A1NPSR1LMNAMEN1
SCHEMBL4697836 0.91 KMT2A (0.45) MAPTLMNAMEN1KMT2AGAA
SCHEMBL4701526 0.91 GAA (0.40) MAPTALDH1A1NPSR1LMNAMEN1
SCHEMBL4698663 0.89 GAA (0.47) KMT2AGAAITGB3ITGAVTAS1R3
SCHEMBL17009347 0.88 POLB (0.46) KMT2AGAAITGB3ITGAVSMN1; SMN2
SCHEMBL6127212 0.88 POLB (0.46) KMT2AGAAITGB3ITGAVSMN1; SMN2
SCHEMBL20530282 0.88 POLB (0.46) KMT2AGAAITGB3ITGAVSMN1; SMN2
SCHEMBL6122200 0.88 POLB (0.46) KMT2AGAAITGB3ITGAVSMN1; SMN2
SCHEMBL4698443 0.88 POLB (0.46) KMT2AGAAITGB3ITGAVSMN1; SMN2

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-1071680-B1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-07-23 EP disclosed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US disclosed