SCHEMBL3837543

SCHEMBL3837543

O=C(O)c1[c]ccc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 2/20 0.41
SELP P16109 2/20 0.41
CA1 P00915 8/20 0.34
CA2 P00918 8/20 0.34
CA12 O43570 7/20 0.34
CA7 P43166 7/20 0.34
CA9 Q16790 7/20 0.34
CA14 Q9ULX7 7/20 0.34
CA6 P23280 5/20 0.34
CA4 P22748 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
DPP4 P27487 2/20 0.34
CA3 P07451 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL6631347 0.80 SELL (0.45) SELLSELPCA1CA2CA12
SCHEMBL6633438 0.80 CA12 (0.48) SELLSELPCA1CA2CA12
SCHEMBL1191220 0.73 CA2 (0.44) SELLSELPCA1CA2CA12
SCHEMBL9158798 0.72 TSHR (0.35) ALDH1A1TP53NAPRTTSHRALOX15
SCHEMBL6630310 0.68 CA12 (0.50) SELLSELPCA1CA2CA12
SCHEMBL133762 0.67
SCHEMBL4278063 0.67 MCL1 (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL2779285 0.67 ALDH1A1 (0.37) SELLSELPCA1CA2CA12
SCHEMBL17188100 0.67 TSHR (0.42) ALDH1A1KDM4ESMN1; SMN2DPP4TP53
SCHEMBL6519228 0.65 CA12 (0.46) CA1CA2CA12CA7CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337229-B1 IMMOBILISATION OF ACTIVE AGENTS ON FIBRES HENKEL AG & CO KGAA (DE) 2009-09-30 EP claimed
CN-1276035-C Water-color ink MITSUI CHEMICALS INC (JP) 2006-09-20 CN disclosed
CN-1558934-A Water-color ink 三井化学株式会社 2004-12-29 CN disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed