SCHEMBL7487602

SCHEMBL7487602

C[C@@H](CCC(=O)NC1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1=O)Cc1c(C(=O)O)n(C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38
DPP4 P27487 1/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.37
CTSK P43235 3/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL7434831 0.80 KMT2A (0.48) TSHRDPP4MAPTKMT2ACYP3A4
SCHEMBL6765207 0.73 CYP3A4 (0.45) MAPTKMT2ACTSKKDM4ECYP3A4
SCHEMBL7427486 0.72 MEN1 (0.47) SMN1; SMN2DPP4KMT2ACTSKLMNA
SCHEMBL7432035 0.71 ALDH1A1 (0.48) KMT2ACTSKCTSLCTSSMEN1
SCHEMBL7434825 0.70 KMT2A (0.45) MAPTKMT2ACTSKKDM4ECYP3A4
SCHEMBL5093139 0.70 KMT2A (0.45) MAPTKMT2ACTSKKDM4ECYP3A4
SCHEMBL5093142 0.69 CTSK (0.47) MAPTKMT2ACTSKCTSLCTSS
SCHEMBL7431356 0.68 KMT2A (0.46) TSHRMAPTKMT2ACTSKCTSL
SCHEMBL5099202 0.67 KMT2A (0.43) MAPTKMT2ACTSKKDM4ECYP3A4
SCHEMBL5092565 0.67 CTSK (0.53) KMT2ACTSKCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed