SCHEMBL6231890

SCHEMBL6231890

CC(C)CCn1c(=O)c(F)c(O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 7/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 3/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
XBP1 P17861 1/20 0.53
GAA P10253 1/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
HSD17B10 Q99714 1/20 0.46
RCE1 Q9Y256 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
PLK1 P53350 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL6232527 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL6208525 0.79 MEN1 (0.60) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL25733860 0.75 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL29574988 0.75 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL8244097 0.74 EGLN1 (0.69) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL7135259 0.74 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL6690224 0.71 DAO (0.58) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL3930634 0.71 MAPK1 (0.55) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL6234246 0.71 MAPK1 (0.52) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL7162258 0.70 KDM4E (0.47) ALDH1A1KDM4EKMT2ALMNAMEN1

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-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO disclosed