SCHEMBL28024488

SCHEMBL28024488

CON=C(C)c1cc(C)c(OCc2c(C)cccc2Cc2ccc(C(=O)O)cc2C(=O)O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC22A12 Q96S37 3/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
NR1H4 Q96RI1 1/20 0.32
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31

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
SCHEMBL28024044 0.90 MRGPRX4 (0.41) HIF1AMRGPRX4CYP2C9PPARGPPARA
SCHEMBL28024054 0.86 HIF1A (0.41) HIF1ARAB9AMRGPRX4SMN1; SMN2PPARA
SCHEMBL28024071 0.86 MRGPRX4 (0.38) HIF1ATSHRMRGPRX4CYP2C9SLC22A12
SCHEMBL28024498 0.83 MRGPRX4 (0.40) HIF1AMRGPRX4CYP2C9PPARGPPARA
SCHEMBL28024064 0.83 MRGPRX4 (0.41) HIF1AMRGPRX4NR1H4PTGER1
SCHEMBL28024545 0.83 ALDH1A1 (0.39) TSHRMEN1ALDH1A1KMT2APOLB
SCHEMBL28024501 0.82 MRGPRX4 (0.42) HIF1ANPC1RAB9AMRGPRX4NR1H4
SCHEMBL28024039 0.81 MRGPRX4 (0.42) HIF1ATSHRMRGPRX4CYP2C9PPARA
SCHEMBL28024520 0.80 MRGPRX4 (0.44) MRGPRX4PPARGPPARANR1H4PTGER1
SCHEMBL28821202 0.79 MRGPRX4 (0.46) MRGPRX4

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-104884442-A Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL CO 2015-09-02 CN disclosed