SCHEMBL31318547

SCHEMBL31318547

O=C(c1cc(Cl)c(O)c(Cl)c1)N1CC2(CC2)Oc2ccc(C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.39
CYP2C9 P11712 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
EPHX2 P34913 3/20 0.36
EPHX1 P07099 1/20 0.36
HCRTR2 O43614 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
TRPM8 Q7Z2W7 3/20 0.34
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAT2A P31153 1/20 0.33
RHOC P08134 1/20 0.33
RHOA P61586 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL31318536 0.88 CYP3A4 (0.37) CYP2C9EPHX2EPHX1HCRTR2MRGPRX4
SCHEMBL31318508 0.87 SLC22A12 (0.40) SLC22A12CYP2C9EPHX2EPHX1TRPM8
SCHEMBL31318539 0.82 SLC22A12 (0.50) SLC22A12CYP2C9ABCG2POLB
SCHEMBL31318507 0.80 TUBB4A (0.37) CYP2C9EPHX2EPHX1TRPM8
SCHEMBL4901585 0.79 SLC22A12 (0.47) SLC22A12CYP2C9ABCG2HCRTR2MAT2A
SCHEMBL31318506 0.78 SLC22A12 (0.48) SLC22A12CYP2C9ABCG2
SCHEMBL31318569 0.77 SLC22A12 (0.55) SLC22A12CYP2C9ABCG2
SCHEMBL31318577 0.76 TTR (0.36) SLC22A12CYP2C9ABCG2NFKB1TP53
SCHEMBL31318515 0.74 SLC22A12 (0.44) SLC22A12CYP2C9ABCG2
SCHEMBL31318542 0.74 SLC22A12 (0.44) SLC22A12CYP2C9ABCG2TP53

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