SCHEMBL7810550

SCHEMBL7810550

COc1ccc(-c2ccc(OCC3COC(c4c(F)cccc4F)=N3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SYK P43405 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL7803673 0.96 TAAR1 (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7812409 0.93 MEN1 (0.40) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7810324 0.91 TAAR1 (0.39) NPC1RAB9AALDH1A1TAAR1
SCHEMBL7812313 0.90 TAAR1 (0.40) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL7809985 0.90 MAOB (0.42) NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL7815858 0.88 TAAR1 (0.37) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7808377 0.88 NPC1 (0.46) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL7809993 0.88 TAAR1 (0.46) NPC1RAB9ATAAR1
SCHEMBL7816166 0.86 TAAR1 (0.38) TAAR1
SCHEMBL7803670 0.86 TAAR1 (0.37) TAAR1

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-0553623-B1 An oxazoline derivative its production and its use SUMITOMO CHEMICAL CO (JP) 2001-04-04 EP disclosed
US-5556867-A INSECTICIDES AND MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-09-17 US disclosed
US-5411979-A Insecticides, miticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-05-02 US disclosed
EP-0553623-A1 An oxazoline derivative its production and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-04 EP disclosed