SCHEMBL5708335

SCHEMBL5708335

Cn1cc(C(=O)Nc2cc(F)c(C[C@H](N)C(=O)O)cc2Cl)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.53
ITGA4 P13612 8/20 0.53
MAOB P27338 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
EP300 Q09472 1/20 0.41
CREBBP Q92793 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5454418 0.87 ITGB1 (0.45) ITGB1ITGA4ALDH1A1MAPTRECQL
SCHEMBL71415 0.85 ITGB1 (0.60) ITGB1ITGA4MAOBALDH1A1MAPT
SCHEMBL5457279 0.84 ITGB1 (0.49) ITGB1ITGA4MAOBALDH1A1MAPT
SCHEMBL14591764 0.84 ITGB1 (0.57) ITGB1ITGA4MAOBALDH1A1MAPT
SCHEMBL91603 0.80 MAOB (0.51) ITGB1ITGA4MAOBALDH1A1MAPT
SCHEMBL71040 0.78 ITGB1 (0.57) ITGB1ITGA4MAOBALDH1A1MAPT
SCHEMBL2435704 0.76 ITGB1 (0.51) ITGB1ITGA4ALDH1A1MAPTEP300
SCHEMBL27596402 0.76 MAOB (0.49) ITGB1ITGA4MAOBALDH1A1MAPT
SCHEMBL2429977 0.75 ITGB1 (0.50) ITGB1ITGA4MAPTEP300CREBBP
SCHEMBL2432672 0.75 ITGB1 (0.52) ITGB1ITGA4MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698611-A1 PROCESS FOR PRODUCING PHENYLACETIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed