SCHEMBL28819347

SCHEMBL28819347

CCc1cccc(Cc2ccc(C(=O)O)cc2C(=O)O)c1COc1ccc(C(=O)C=CN(C)C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
MRGPRX4 Q96LA9 9/20 0.39
PPARA Q07869 1/20 0.37
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 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
SCHEMBL28016544 0.94 MAPT (0.41) MAPTLMNAMRGPRX4PPARAGAA
SCHEMBL28024498 0.81 MRGPRX4 (0.40) MRGPRX4PPARA
SCHEMBL18831508 0.79 MAPT (0.45) MAPTLMNAGAAHTTALDH1A1
SCHEMBL28024063 0.79 MRGPRX4 (0.43) MRGPRX4PPARAHPGDNPC1RAB9A
SCHEMBL28821202 0.79 MRGPRX4 (0.46) MRGPRX4
SCHEMBL28016556 0.78 THRA (0.45) MRGPRX4
SCHEMBL28102154 0.78 MRGPRX4 (0.42) MRGPRX4HTTPOLB
SCHEMBL28024050 0.78 MRGPRX4 (0.46) LMNAMRGPRX4PPARAALDH1A1
SCHEMBL28024548 0.78 MRGPRX4 (0.43) MRGPRX4
SCHEMBL28016462 0.77 MRGPRX4 (0.43) MRGPRX4PPARA

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-104684908-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed