SCHEMBL28048667

SCHEMBL28048667

CCOC(=O)c1c(C)c(-c2ccc(OCc3ccccc3Cc3ccc(C(=O)O)cc3C(=O)O)c(C)c2)nn1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.40
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
PTGER1 P34995 2/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CD274 Q9NZQ7 2/20 0.33
LMNA P02545 1/20 0.33
JMJD6 Q6NYC1 1/20 0.33

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
SCHEMBL28017198 0.91 MRGPRX4 (0.39) MRGPRX4PSEN1PSEN2APH1BNCSTN
SCHEMBL28016507 0.91 MRGPRX4 (0.39) MRGPRX4PSEN1PSEN2APH1BNCSTN
SCHEMBL28048621 0.91 MRGPRX4 (0.41) MRGPRX4HPGDPTGER1S1PR1S1PR5
SCHEMBL28016505 0.88 MRGPRX4 (0.42) MRGPRX4TP53PTGER1CD274
SCHEMBL28048625 0.84 MRGPRX4 (0.42) MRGPRX4HPGDTP53PTGER1
SCHEMBL28017144 0.83 MRGPRX4 (0.39) MRGPRX4CD274
SCHEMBL28016502 0.83 MRGPRX4 (0.39) MRGPRX4PTGER1
SCHEMBL28825558 0.81 MRGPRX4 (0.44) MRGPRX4PTGER1S1PR1S1PR5
SCHEMBL28016436 0.80 MRGPRX4 (0.40) MRGPRX4
SCHEMBL28016504 0.79 MRGPRX4 (0.40) 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-105263921-A Tetrazolinone compound and application of same SUMITOMO CHEMICAL CO 2016-01-20 CN disclosed