SCHEMBL1996398

SCHEMBL1996398

COC(=O)c1ccc(B(O)OCCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.49
MAPT P10636 3/20 0.49
CYP4F2 P78329 2/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
POLB P06746 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.40
CASP1 P29466 1/20 0.39

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
SCHEMBL5952620 0.91 CYP4A11 (0.54) CYP4A11MAPTCYP4F2CA1CA2
SCHEMBL1996399 0.84 POLB (0.47) CYP4A11MAPTCYP4F2CA1CA2
SCHEMBL1993453 0.84 CA1 (0.51) MAPTCA1CA2TDP1CA12
SCHEMBL1993491 0.83 MAPT (0.49) CYP4A11MAPTCYP4F2CA1CA2
SCHEMBL2782096 0.80 ALDH1A1 (0.34) CA1CA2TSHRALDH1A1
Ethylene Glycol SCHEMBL1859525 0.76 CYP4A11 (0.68) CYP4A11MAPTCYP4F2CA1CA2
SCHEMBL473878 0.76 CA1 (0.52) CYP4A11MAPTCA1CA2TDP1
SCHEMBL16095509 0.76 TDP1 (0.57) MAPTCA1CA2TDP1CA12
SCHEMBL1962951 0.75 MAPT (0.58) CYP4A11MAPTCYP4F2CA1CA2
SCHEMBL140644 0.75 CA1 (0.59) CYP4A11MAPTCA1CA2TDP1

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-8773745-B2 Electrochromic material KYUSHU UNIVERSITY (JP) 2014-07-08 US disclosed
US-20110149367-A1 ELECTROCHROMIC MATERIAL KYUSHU UNIVERSITY (JP) 2011-06-23 US disclosed