SCHEMBL8913485

SCHEMBL8913485

CC(=O)c1ccc(-c2ccc(F)c(F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.67
HSD17B1 P14061 4/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HSD17B2 P37059 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
XDH P47989 1/20 0.43
ERN1 O75460 2/20 0.43
PTGS1 P23219 1/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 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
SCHEMBL9150363 0.85 KDM4E (0.71) KIF11HSD17B1MAPTSMN1; SMN2LMNA
SCHEMBL18386420 0.84 KIF11 (0.62) KIF11HSD17B1MAPTSMN1; SMN2MAOB
SCHEMBL29669896 0.83 CES2 (0.67) KIF11MAPTMAOBMAOACES2
SCHEMBL75801 0.83 CES2 (0.67) KIF11MAPTMAOBMAOACES2
SCHEMBL2558829 0.82 KIF11 (0.55) KIF11HSD17B1MAPTSMN1; SMN2LMNA
SCHEMBL2554199 0.82 KIF11 (0.59) KIF11HSD17B1MAPTSMN1; SMN2LMNA
SCHEMBL15962141 0.82 KIF11 (0.55) KIF11HSD17B1MAPTSMN1; SMN2MAOB
SCHEMBL2247505 0.82 KDM4E (0.72) CES2CES1LMNAKDM4EHSD17B10
SCHEMBL17369440 0.82 CES2 (0.54) KIF11HSD17B1CES2CES1LMNA
SCHEMBL9149352 0.80 LMNA (0.60) KIF11HSD17B1MAPTSMN1; SMN2LMNA

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
US-5651919-A Benzyl ether derivative and composition containing the same CITIZEN WATCH CO., LTD. (JP) 1997-07-29 US disclosed
US-4125612-A N-1-(p-Biphenylalkyl)piperazines and their use as anti-inflammatory agents SCHERING CORPORATION (US) 1978-11-14 US disclosed