SCHEMBL8773868

SCHEMBL8773868

CCC(=O)Nc1c(F)cccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.47
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NLRP3 Q96P20 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CLCN2 P51788 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL14266385 0.86 KMT2A (0.53) KMT2AALDH1A1MEN1ADORA3ADORA2A
SCHEMBL9958891 0.82 POLB (0.60) KDM4EKMT2AALDH1A1MEN1POLB
SCHEMBL21681228 0.79 TSHR (0.54) KDM4EALDH1A1ADORA3ADORA2AADORA2B
SCHEMBL2965336 0.78 HNF4A (0.50) KDM4EALDH1A1SMN1; SMN2ADORA3ADORA2A
SCHEMBL20303914 0.78 ALB (0.55) ALBKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL29785235 0.78 ALB (0.55) ALBKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL12637722 0.76 ADORA3 (0.43) KMT2AALDH1A1MEN1ADORA3ADORA2A
SCHEMBL135374 0.76 PLK1 (0.45) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL18230845 0.76 POLB (0.51) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4607513 0.75 ALB (0.49) ALBKDM4EKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470669-B1 Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines DOWELANCO (US) 1997-11-12 EP disclosed
US-5164502-A Fluorinating agents DOWELANCO (US) 1992-11-17 US disclosed
US-5116982-A Fluorination DOWELANCO (US) 1992-05-26 US disclosed
EP-0470669-A2 Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines DOWELANCO (US) 1992-02-12 EP disclosed