SCHEMBL18325968

SCHEMBL18325968

CC(C)(c1ccc(Oc2ccc(C(=O)O)c(C(=O)Nc3cccc(Oc4cccc(Oc5cccc(NC(=O)c6cc(Oc7ccc(C(C)(C)c8ccc(Oc9ccc%10c(c9)C(=O)OC%10=O)cc8)cc7)ccc6C(=O)O)c5)c4)c3)c2)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 1/20 0.56
▸ TDP1 Q9NUW8 4/20 0.55
▸ DUSP3 P51452 1/20 0.55
▸ PTPN5 P54829 1/20 0.55
▸ PTPN11 Q06124 1/20 0.55
▸ GALK1 P51570 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ PLEC Q15149 1/20 0.52
▸ MAPK1 P28482 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CA2 P00918 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NR1H4 Q96RI1 2/20 0.43

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
SCHEMBL12908005 0.89 HPSE (0.61) HPSETDP1DUSP3PTPN5PTPN11
SCHEMBL19427482 0.86 POLB (0.48) HPSETDP1DUSP3PTPN5PTPN11
SCHEMBL11732302 0.81 TDP1 (0.60) HPSETDP1DUSP3PTPN5PTPN11
SCHEMBL15887767 0.81 MAPK1 (0.48) HPSETDP1DUSP3PTPN5PTPN11
SCHEMBL4449454 0.80 CA2 (0.43) HPSETDP1DUSP3PTPN5PTPN11
SCHEMBL15887279 0.80 HPSE (0.43) HPSETDP1DUSP3PTPN5PTPN11
SCHEMBL23481023 0.80 CA2 (0.43) HPSETDP1DUSP3PTPN5PTPN11
SCHEMBL21017071 0.79 CA2 (0.38) HPSETDP1DUSP3PTPN5PTPN11
SCHEMBL22293767 0.79 NPC1 (0.58) HPSETDP1DUSP3PTPN5PTPN11
SCHEMBL12171714 0.78 HPSE (0.54) HPSETDP1DUSP3PTPN5PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160369055-A1 A QUICK RESPONSIVE, SHAPE MEMORY THERMOSET POLYIMIDE AND PREPARATION METHOD THEREOF HARBIN INSTITUTE OF TECHNOLOGY (CN) 2016-12-22 — — US disclosed
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