SCHEMBL8469412

SCHEMBL8469412

CCCC(=O)Oc1c(CCc2ccc(OC)cc2)oc2cc(Br)ccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC22A12 Q96S37 2/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ANO1 Q5XXA6 1/20 0.37
FPR2 P25090 1/20 0.37
F2RL1 P55085 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
PPARG P37231 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8469409 0.92 MAPT (0.42) KDM4ESLC22A12MAPTTP53TSHR
SCHEMBL27332044 0.88 MAPT (0.41) KDM4EALDH1A1KMT2ASLC22A12MAPT
SCHEMBL8469650 0.85 MAPT (0.42) KDM4EALDH1A1GLAGAAKMT2A
SCHEMBL27372573 0.81 PPARG (0.39) KMT2ASLC22A12MAPTANO1FPR2
SCHEMBL8469647 0.79 MTNR1A (0.41) MAPTTP53MTNR1AMTNR1BCYP2C9
SCHEMBL27397704 0.78 MAPT (0.42) KDM4EALDH1A1GLAKMT2ASLC22A12
SCHEMBL7386935 0.78 PTGS2 (0.45) KDM4EALDH1A1SLC22A12ANO1FPR2
SCHEMBL7386540 0.73 ANO1 (0.57) KMT2ASLC22A12MAPTANO1MTNR1A
SCHEMBL7389449 0.73 CA12 (0.52) KDM4EALDH1A1GAAKMT2ASLC22A12
SCHEMBL8469414 0.72 MAPT (0.46) KDM4EALDH1A1GLAKMT2ASLC22A12

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-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed