SCHEMBL28068547

SCHEMBL28068547

COc1cc(-c2oc3cc(=O)ccc-3c(O)c2O)cc(OC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.44
▸ MAPT P10636 7/20 0.41
▸ TP53 P04637 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM4E B2RXH2 6/20 0.40
▸ RECQL P46063 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ CASP1 P29466 5/20 0.40
▸ CASP7 P55210 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ ABCB1 P08183 2/20 0.39

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
SCHEMBL5075288 0.70 MEN1 (0.41) MAPTTP53POLBKDM4ERECQL
SCHEMBL18527386 0.69 EGFR (0.51) MAPTTP53POLBRXFP1KDM4E
SCHEMBL21316776 0.67 NQO1 (0.56) MAPTTP53POLBKDM4ERECQL
SCHEMBL8844709 0.67 SMPD3 (0.45) LCKMAPTTP53POLBRXFP1
SCHEMBL29870196 0.66 ABCB1 (0.81) MAPTTP53POLBRXFP1KDM4E
SCHEMBL8934499 0.65 EGFR (0.50) MAPTTP53POLBKDM4EMEN1
Butane SCHEMBL15307569 0.65 PTGS1 (0.50) LCKMAPTTP53POLBRXFP1
SCHEMBL5030552 0.65 CA12 (0.56) MAPTKMT2ALMNASMPD3CA12
Syringetin SCHEMBL29929167 0.63 ABCB1 (0.85) LCKMAPTTP53POLBKDM4E
Syringetin SCHEMBL810981 0.63 ABCB1 (0.85) LCKMAPTTP53POLBKDM4E

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
CN-105504911-A Waterproof agent for impounding reservoir YANTAI SHUNLONG CHEMICAL TECH CO LTD 2016-04-20 — — CN disclosed
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