SCHEMBL10986437

SCHEMBL10986437

[CH2]c1cc(OCC)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 1/20 0.44
HIF1A Q16665 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) NQO1MAPTKDM4ETSHRKMT2A
SCHEMBL10986380 0.85 CA12 (0.47) NQO1MAPTKDM4EGAALMNA
SCHEMBL10983336 0.85 NQO1 (0.48) NQO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9715643 0.82 CA2 (0.64) NQO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL232793 0.81 CA12 (0.62) MAPTGAALMNAHTTKMT2A
SCHEMBL16955556 0.80 NQO1 (0.43) NQO1MAPTKDM4EHIF1ATSHR
SCHEMBL19612211 0.80 KDM4E (0.61) NQO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16962794 0.79 KMT2A (0.43) NQO1MAPTKDM4ELMNATSHR
SCHEMBL16951200 0.79 L3MBTL1 (0.43) NQO1MAPTKDM4ELMNATSHR
SCHEMBL16953203 0.78 ALDH1A1 (0.56) NQO1TUBB4ATUBBTUBA3CTUBA1B

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