SCHEMBL1794282

SCHEMBL1794282

C=Cc1ccc(OCC)cc1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.45
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
HIF1A Q16665 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
ALDH1A1 P00352 4/20 0.41

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
SCHEMBL16951834 0.86 NQO1 (0.45) NQO1KMT2AKDM4ECA12CA1
SCHEMBL28118816 0.84 ALDH1A1 (0.46) KMT2AKDM4ETDP1LMNAALDH1A1
SCHEMBL9498221 0.84 NQO1 (0.46) NQO1KMT2AKDM4ECA12CA1
SCHEMBL3623618 0.80 KDM4E (0.47) NQO1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL27118918 0.78 KDM4E (0.51) KMT2AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL27123442 0.78 L3MBTL1 (0.63) KDM4ELMNAALDH1A1TSHRTP53
SCHEMBL28347627 0.77 CYP1A1 (0.50) NQO1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL10417562 0.77 ALDH1A1 (0.40) TDP1PKMALDH1A1MAPTESR2
SCHEMBL7083444 0.77 NQO1 (0.56) NQO1KMT2AKDM4ECA12CA1
SCHEMBL8173931 0.76 NQO1 (0.46) NQO1KMT2AKDM4ETDP1ALDH1A1

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-1637551-B1 PROCESS FOR PRODUCING POLYMER NIPPON SODA CO (JP) 2013-02-27 EP disclosed
US-7951887-B2 Process for producing a polymer NIPPON SODA CO., LTD. (JP) 2011-05-31 US disclosed
US-20070015890-A1 Process for producing polymer NIPPON SODA CO., LTD. (JP) 2007-01-18 US disclosed
EP-1637551-A1 PROCESS FOR PRODUCING POLYMER NIPPON SODA CO., LTD. (JP) 2006-03-22 EP disclosed