SCHEMBL10986380

SCHEMBL10986380

[CH2]c1cc(OC)ccc1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ CALM1 P0DP23 2/20 0.46
▸ MAPT P10636 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL6986070 0.88 NQO1 (0.52) MAPTKDM4ETSHRHPGDHSD17B10
SCHEMBL10986437 0.85 NQO1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL10980280 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL232793 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL12093645 0.80 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL8888440 0.80 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL16953615 0.79 S1PR1 (0.43) MAPTLMNAATMNQO1
SCHEMBL17260308 0.78 MAPT (0.50) CA12CA1CA2CA7CA9
SCHEMBL12311778 0.78 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL11159125 0.77 MRGPRX4 (0.50) CA12CA1CA2CA7CA9

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 — — US disclosed
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