SCHEMBL28016501

SCHEMBL28016501

CC(=O)c1ccc(OCc2c(C)cccc2Cc2ccc(C(=O)O)cc2C(=O)O)c(C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.43
CREBBP Q92793 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
HRH2 P25021 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 1/20 0.34

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 0.88 MRGPRX4 (0.46) MRGPRX4CREBBPAKR1B10AKR1B1AKR1C4
SCHEMBL28020693 0.80 MRGPRX4 (0.39) MRGPRX4
SCHEMBL28097578 0.79 NR1H4 (0.42) MRGPRX4PPARGPPARAHIF1A
SCHEMBL28024050 0.78 MRGPRX4 (0.46) MRGPRX4PPARACYP2C9HIF1ATSHR
SCHEMBL28024063 0.78 MRGPRX4 (0.43) MRGPRX4PPARACYP2C9HIF1A
SCHEMBL28024548 0.78 MRGPRX4 (0.43) MRGPRX4
SCHEMBL28024495 0.77 MRGPRX4 (0.38) MRGPRX4PPARGPPARACYP2C9HIF1A
SCHEMBL28024044 0.77 MRGPRX4 (0.41) MRGPRX4PPARGPPARACYP2C9HIF1A
SCHEMBL28825838 0.77 HTT (0.45) MRGPRX4PPARACYP2C9HIF1ATSHR
SCHEMBL28048671 0.76 MRGPRX4 (0.46) MRGPRX4CREBBPCYP2C9HIF1A

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
CN-104884442-A Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL CO 2015-09-02 CN disclosed
CN-104684908-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed