SCHEMBL31318524

SCHEMBL31318524

O=C(c1cc(F)c(O)c(F)c1)N1CC2(CC2)Oc2ncccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.38
ACACB O00763 1/20 0.33
HSD17B10 Q99714 4/20 0.32
CYP2D6 P10635 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP2C9 P11712 3/20 0.32
CYP3A4 P08684 3/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
USP2 O75604 1/20 0.32
NPY5R Q15761 2/20 0.31
KCNH2 Q12809 1/20 0.31
COMT P21964 1/20 0.31
SPR P35270 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL31318570 0.87 PDE4B (0.39) ACACBSMN1; SMN2ALDH1A1RORC
SCHEMBL31318542 0.87 SLC22A12 (0.44) SLC22A12CYP2C9
SCHEMBL31318512 0.87 SLC22A12 (0.44) SLC22A12ACACBSMN1; SMN2ALDH1A1HPGD
SCHEMBL31318516 0.81 SLC22A12 (0.43) SLC22A12ALDH1A1CYP2C9GPBAR1
SCHEMBL31318492 0.79 MEN1 (0.40) SLC22A12SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL31318545 0.79 TUBB4A (0.39) SLC22A12ALDH1A1TSHRCYP2C19
SCHEMBL31318520 0.79 MEN1 (0.36) SLC22A12ALDH1A1CYP2C9CYP3A4GPBAR1
SCHEMBL31318557 0.78 SLC22A12 (0.48) SLC22A12CYP2D6SMN1; SMN2CYP3A4CYP2C19
SCHEMBL31318563 0.74 SLC22A12 (0.39) SLC22A12ALDH1A1HPGDTSHR
SCHEMBL31318571 0.70 NR3C2 (0.38) SLC22A12ALDH1A1TSHRUSP2GPBAR1

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