SCHEMBL28825838

SCHEMBL28825838

COc1cc(Br)ccc1OCc1c(C)cccc1Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
PTGER1 P34995 5/20 0.44
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 1/20 0.42
MRGPRX4 Q96LA9 3/20 0.42
PLA2G4A P47712 1/20 0.41
LTB4R Q15722 1/20 0.41
PTGFR P43088 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
PPARA Q07869 1/20 0.39
POLB P06746 1/20 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
SCHEMBL28821202 0.82 MRGPRX4 (0.46) MRGPRX4
SCHEMBL28024063 0.80 MRGPRX4 (0.43) CYP2C9HIF1AMRGPRX4PPARA
SCHEMBL28024050 0.80 MRGPRX4 (0.46) CYP2C9HIF1ATSHRMRGPRX4PPARA
SCHEMBL28024548 0.80 MRGPRX4 (0.43) MRGPRX4
SCHEMBL28024044 0.79 MRGPRX4 (0.41) CYP2C9HIF1AMRGPRX4PPARA
SCHEMBL28954513 0.78 CYP2C9 (0.43) HTTCYP2C9HIF1AMRGPRX4PPARA
SCHEMBL28024078 0.78 MRGPRX4 (0.44) MRGPRX4
SCHEMBL28024039 0.78 MRGPRX4 (0.42) PTGER1CYP2C9HIF1ATSHRMRGPRX4
SCHEMBL28024071 0.77 MRGPRX4 (0.38) HTTCYP2C9HIF1ATSHRMRGPRX4
SCHEMBL28024509 0.77 MRGPRX4 (0.39) CYP2C9HIF1AMRGPRX4

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-105324373-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2016-02-10 CN disclosed