SCHEMBL19829368

SCHEMBL19829368

COC(=O)c1ccc2ccc(COC=O)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.47
LCK P06239 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.44
ALDH1A1 P00352 4/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
POLB P06746 1/20 0.41
XDH P47989 1/20 0.41
CYP4A11 Q02928 2/20 0.41
ALOX15 P16050 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 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
SCHEMBL16449828 0.96 PTPN11 (0.51) PTPN11LCKLOXL2ALDH1A1CA1
SCHEMBL3145033 0.85 LCK (0.49) PTPN11LCKLOXL2ALDH1A1CA1
SCHEMBL20024735 0.84 PTPN1 (0.42) PTPN11ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL121593 0.83 LOXL2 (0.58) LOXL2ALDH1A1CA1CA2CA12
SCHEMBL26885177 0.82 ALDH1A1 (0.45) ALDH1A1ALOX15TP53CYP1A2CYP3A4
SCHEMBL8512590 0.81 MAOB (0.44) ALDH1A1HPGDMAPT
SCHEMBL5543244 0.81 LOXL2 (0.62) LOXL2ALDH1A1CYP4A11HPGDHIF1A
SCHEMBL3149487 0.80 CYP4A11 (0.50) PTPN11LCKLOXL2ALDH1A1CA1
SCHEMBL16485169 0.80 PTPN11 (0.53) PTPN11LCKLOXL2ALDH1A1CA1
SCHEMBL12052835 0.80 MAPT (0.48) LOXL2ALDH1A1CA1CA2CA12

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-20180179332-A1 WATER DISPERSIBLE POLYMER FOR USE IN ADDITIVE MANUFACTURING STRATASYS, INC. 2018-06-28 US disclosed
US-20180030234-A1 RECYCLING AND REUSE OF SULFONATED POLYMER MATERIAL IN ADDITIVE MANUFACTURING STRATASYS, INC. 2018-02-01 US disclosed