SCHEMBL29376458

SCHEMBL29376458

O=C(O)CCCCC(=O)Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.64
▸ SRC P12931 4/20 0.64
▸ TOP2A P11388 1/20 0.63
▸ POLH Q9Y253 7/20 0.63
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ KDM4E B2RXH2 4/20 0.63
▸ POLB P06746 4/20 0.63
▸ GAA P10253 4/20 0.63
▸ RECQL P46063 3/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ MAPT P10636 3/20 0.63
▸ MMP1 P03956 2/20 0.63
▸ APEX1 P27695 2/20 0.63
▸ BLM P54132 2/20 0.63
▸ HTT P42858 1/20 0.63
▸ USP2 O75604 2/20 0.57
▸ TP53 P04637 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57

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
SCHEMBL4169970 0.91 POLH (0.73) EPHX2SRCTOP2APOLHMEN1
SCHEMBL4175309 0.90 POLH (0.71) EPHX2SRCTOP2APOLHMEN1
SCHEMBL4163382 0.90 POLH (0.71) EPHX2SRCTOP2APOLHMEN1
SCHEMBL31236656 0.90 POLH (0.71) EPHX2SRCTOP2APOLHMEN1
SCHEMBL4170652 0.90 POLH (0.71) EPHX2SRCTOP2APOLHMEN1
SCHEMBL4170099 0.90 POLH (0.71) EPHX2SRCTOP2APOLHMEN1
SCHEMBL4159135 0.90 POLH (0.71) EPHX2SRCTOP2APOLHMEN1
SCHEMBL4172289 0.90 POLH (0.71) EPHX2SRCTOP2APOLHMEN1
SCHEMBL4170035 0.90 POLH (0.71) EPHX2SRCTOP2APOLHMEN1
SCHEMBL4153380 0.90 POLH (0.71) EPHX2SRCTOP2APOLHMEN1

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-114025740-A Agrimonia pilosa extract as anti-fouling agent 皮埃尔·法布尔皮肤化妆品公司 2022-02-08 — — CN disclosed
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