SCHEMBL28024545

SCHEMBL28024545

CON=C(C)c1ccc(OCc2c(C)cccc2Cc2ccc(C(=O)O)cc2C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
PLA2G4B P0C869 1/20 0.37
POLB P06746 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPSE Q9Y251 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
CTSV O60911 3/20 0.36
CTSL P07711 3/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL28024044 0.89 MRGPRX4 (0.41)
SCHEMBL28024064 0.84 MRGPRX4 (0.41)
SCHEMBL28024071 0.84 MRGPRX4 (0.38) TSHR
SCHEMBL28024498 0.83 MRGPRX4 (0.40)
SCHEMBL28024488 0.83 HIF1A (0.38) ALDH1A1SMN1; SMN2TSHRPOLBMEN1
SCHEMBL28024501 0.81 MRGPRX4 (0.42)
SCHEMBL28024054 0.80 HIF1A (0.41) SMN1; SMN2
SCHEMBL28024520 0.79 MRGPRX4 (0.44)
SCHEMBL28024479 0.79 HIF1A (0.43) LMNA
SCHEMBL28024039 0.79 MRGPRX4 (0.42) TSHR

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-B Terazololine-one compound and application thereof 住友化学株式会社 2016-11-02 CN disclosed
CN-104884442-A Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL CO 2015-09-02 CN disclosed