SCHEMBL28020693

SCHEMBL28020693

CCC(=O)c1ccc(OCc2c(Cc3ccc(C(=O)O)cc3C(=O)O)cccc2C2CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.39
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL28024063 0.88 MRGPRX4 (0.43) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL28024484 0.87 MRGPRX4 (0.36) MRGPRX4NR1H4
SCHEMBL28097578 0.86 NR1H4 (0.42) MRGPRX4NR1H4
SCHEMBL28024547 0.85 MRGPRX4 (0.38) MRGPRX4NR1H4
SCHEMBL28020702 0.83 MRGPRX4 (0.39) MRGPRX4NR1H4
SCHEMBL28024059 0.83 HIF1A (0.38) MRGPRX4NPC1RAB9ASMN1; SMN2NR1H4
SCHEMBL28020688 0.82 MRGPRX4 (0.37) MRGPRX4NR1H4
SCHEMBL28020979 0.81 NR1H4 (0.39) MRGPRX4NR1H4
SCHEMBL28020690 0.81 MRGPRX4 (0.38) MRGPRX4NR1H4
SCHEMBL28016501 0.80 MRGPRX4 (0.43) 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-104684909-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed