SCHEMBL9422940

SCHEMBL9422940

CCOC(=O)c1noc(C2CC2)c1C(=O)Nc1ccc(C(F)(F)F)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
FLT1 P17948 5/20 0.47
KDR P35968 4/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
CRACR2A Q9BSW2 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX2 P34913 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9422978 0.88 HTT (0.66) HTTFLT1KDRALDH1A1MAPT
SCHEMBL9423117 0.88 HTT (0.52) HTTFLT1KDRALDH1A1MAPT
SCHEMBL8376590 0.88 FLT1 (0.48) HTTFLT1KDRALDH1A1MAPT
SCHEMBL9423064 0.87 MAPT (0.58) HTTFLT1KDRALDH1A1MAPT
SCHEMBL9423016 0.84 PTGS2 (0.51) HTTFLT1KDRALDH1A1MAPT
SCHEMBL9423052 0.82 HTT (0.48) HTTALDH1A1MAPTLMNATP53
SCHEMBL8376535 0.77 CRACR2A (0.40) HTTKDRMAPTLMNACRACR2A
SCHEMBL8487140 0.76 HTT (0.43) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL8045733 0.75 CRACR2A (0.51) HTTFLT1KDRLMNATP53
SCHEMBL8817056 0.75 MLYCD (0.41) HTTALDH1A1MAPTLMNATP53

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
US-5371099-A Antiinflammatory agents ROUSSEL-UCLAF (FR) 1994-12-06 US disclosed