SCHEMBL28097578

SCHEMBL28097578

CON=C(C)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
NR1H4 Q96RI1 7/20 0.42
MRGPRX4 Q96LA9 9/20 0.37
HIF1A Q16665 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 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
SCHEMBL28024484 0.90 MRGPRX4 (0.36) NR1H4MRGPRX4HIF1APPARGPPARD
SCHEMBL28024547 0.90 MRGPRX4 (0.38) NR1H4MRGPRX4HIF1A
SCHEMBL28024044 0.89 MRGPRX4 (0.41) NR1H4MRGPRX4HIF1APPARGPPARD
SCHEMBL28024498 0.88 MRGPRX4 (0.40) NR1H4MRGPRX4HIF1APPARGPPARD
SCHEMBL28020693 0.86 MRGPRX4 (0.39) NR1H4MRGPRX4
SCHEMBL28024501 0.86 MRGPRX4 (0.42) NR1H4MRGPRX4HIF1A
SCHEMBL28024059 0.85 HIF1A (0.38) NR1H4MRGPRX4HIF1A
SCHEMBL28024520 0.84 MRGPRX4 (0.44) NR1H4MRGPRX4PPARGPPARDPPARA
SCHEMBL28024479 0.84 HIF1A (0.43) MRGPRX4HIF1APPARGPPARDPPARA
SCHEMBL28024495 0.82 MRGPRX4 (0.38) NR1H4MRGPRX4HIF1APPARGPPARD

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