SCHEMBL28097588

SCHEMBL28097588

CON=C(c1cccc(OC)c1)c1ccc(OCc2c(C)cccc2Cc2ccc(C(=O)O)cc2C(=O)O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.39
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
VDR P11473 1/20 0.37
CYP2C8 P10632 1/20 0.37
PPARG P37231 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARA Q07869 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
SCHEMBL28024039 0.93 MRGPRX4 (0.42) MRGPRX4CYP2C9HIF1APPARA
SCHEMBL28024500 0.90 MRGPRX4 (0.46) MRGPRX4CYP2C9HIF1APPARA
SCHEMBL28024473 0.89 MRGPRX4 (0.45) MRGPRX4CYP2C9HIF1APPARGRAB9A
SCHEMBL28821177 0.89 MRGPRX4 (0.44) MRGPRX4PPARA
SCHEMBL28024044 0.86 MRGPRX4 (0.41) MRGPRX4CYP2C9HIF1APPARGPPARA
SCHEMBL28024045 0.86 CYP2C9 (0.40) MRGPRX4CYP2C9HIF1ARAB9A
SCHEMBL28024547 0.83 MRGPRX4 (0.38) MRGPRX4CYP2C9HIF1A
SCHEMBL28024495 0.82 MRGPRX4 (0.38) MRGPRX4CYP2C9HIF1APPARGMAPT
SCHEMBL28024050 0.82 MRGPRX4 (0.46) MRGPRX4CYP2C9HIF1AKDM4EPPARA
SCHEMBL28821202 0.82 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-B Terazololine-one compound and application thereof 住友化学株式会社 2016-11-02 CN disclosed