SCHEMBL2309979

SCHEMBL2309979

[O-][S+]1c2ccccc2Cc2ccc(CCO)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
BACE1 P56817 1/20 0.36
PDK2 Q15119 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL2315788 0.92 GAA (0.41) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL2307403 0.91 TDP1 (0.36) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL2308285 0.89 GAA (0.37) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL2315229 0.82 KDM4E (0.41) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL2310260 0.82 KDM4E (0.32) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL2313011 0.82 KDM4E (0.32) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL2311185 0.82
SCHEMBL6860681 0.81 CYP1A2 (0.38) KDM4EALDH1A1MAPTPDK2TSHR
SCHEMBL2312925 0.80 TDP1 (0.33) TDP1
SCHEMBL9681449 0.78 GRIN2B (0.35) PDK2TSHR

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-7989517-B2 Actinic ray curable composition, actinic ray curable ink, and image formation process employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-08-02 US disclosed
US-20070123600-A1 ACTINIC RAY CURABLE COMPOSITION, ACTINIC RAY CURABLE INK, AND IMAGE FORMATION PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-31 US disclosed