SCHEMBL28641449

SCHEMBL28641449

O=Cc1cc(-c2ccc(OCc3ccccc3)cc2)cc([N+](=O)[O-])c1O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 15/20 0.60
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ MAOB P27338 1/20 0.50

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
SCHEMBL31053128 0.78 BACE1 (0.61) MAOB
SCHEMBL1646385 0.78 BACE1 (0.61) MAOB
SCHEMBL4883605 0.78 BACE1 (0.53) MAOB
SCHEMBL27684770 0.76 BACE1 (0.52) MAOB
SCHEMBL12767065 0.75 ERN1 (1.00) ERN1
SCHEMBL29635925 0.75 KDM4E (0.61) ERN1CRHBPCRHR2
SCHEMBL25962627 0.75 KDM4E (0.61) ERN1CRHBPCRHR2
SCHEMBL30683152 0.75 ERN1 (0.73) ERN1
SCHEMBL2817506 0.74 CYP1A2 (0.51) —
SCHEMBL3235424 0.73 BACE1 (0.59) MAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493433-B Benzopyrone derivative capable of serving as GPR35 receptor agonist, preparation method and application thereof 泰州医药城国科化物生物医药科技有限公司 2023-12-01 — — CN disclosed
CN-113493433-A Benzopyrone derivative capable of being used as GPR35 receptor agonist, preparation method and application thereof 泰州医药城国科化物生物医药科技有限公司 2021-10-12 — — CN disclosed
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