SCHEMBL31318539

SCHEMBL31318539

O=C(c1cc(Cl)c(O)c(Cl)c1)N1CC2(CC2)Oc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 11/20 0.50
ABCG2 Q9UNQ0 2/20 0.50
CYP2C9 P11712 1/20 0.50
POLB P06746 1/20 0.41
SIRT1 Q96EB6 1/20 0.37
P2RX4 Q99571 1/20 0.36
HSD11B1 P28845 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34

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
SCHEMBL31318513 0.88 MEN1 (0.42) SLC22A12ABCG2CYP2C9POLB
SCHEMBL31318517 0.86 SIRT3 (0.41) SLC22A12ABCG2CYP2C9POLBHSD11B1
SCHEMBL31318523 0.85 SLC22A12 (0.44) SLC22A12ABCG2CYP2C9POLBSIRT1
SCHEMBL31318504 0.85 SLC22A12 (0.42) SLC22A12ABCG2CYP2C9POLBSIRT1
SCHEMBL31318516 0.85 SLC22A12 (0.43) SLC22A12ABCG2CYP2C9POLBSIRT1
SCHEMBL31318569 0.85 SLC22A12 (0.55) SLC22A12ABCG2CYP2C9SLC22A6
SCHEMBL31318506 0.84 SLC22A12 (0.48) SLC22A12ABCG2CYP2C9SLC22A6
SCHEMBL31318547 0.82 SLC22A12 (0.39) SLC22A12ABCG2CYP2C9POLB
SCHEMBL31318542 0.81 SLC22A12 (0.44) SLC22A12ABCG2CYP2C9HSD11B1SLC22A6
SCHEMBL31318571 0.79 NR3C2 (0.38) SLC22A12POLBSIRT1HSD11B1SIRT3

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-119059989-A URAT1 inhibitor, preparation method and application thereof 中国药科大学 2024-12-03 CN disclosed