SCHEMBL31318516

SCHEMBL31318516

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.43
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
NR3C2 P08235 1/20 0.34
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
GRIN2B Q13224 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL31318571 0.88 NR3C2 (0.38) SLC22A12POLBSIRT1SIRT3NR3C2
SCHEMBL31318544 0.86 SIRT3 (0.41) SLC22A12SIRT3ALDH1A1KMT2ALMNA
SCHEMBL31318539 0.85 SLC22A12 (0.50) SLC22A12POLBCYP2C9ABCG2SIRT1
SCHEMBL31318504 0.85 SLC22A12 (0.42) SLC22A12POLBCYP2C9ABCG2SIRT1
SCHEMBL31318523 0.85 SLC22A12 (0.44) SLC22A12POLBCYP2C9ABCG2SIRT1
SCHEMBL31318563 0.85 SLC22A12 (0.39) SLC22A12NR3C2GAAHTTALDH1A1
SCHEMBL31318557 0.84 SLC22A12 (0.48) SLC22A12
SCHEMBL31318572 0.82 ATM (0.44) SIRT3HTTALDH1A1KMT2ARAB9A
SCHEMBL31318524 0.81 SLC22A12 (0.38) SLC22A12CYP2C9ALDH1A1GPBAR1
SCHEMBL31318496 0.79 NR3C2 (0.40) SLC22A12POLBSIRT1SIRT3NR3C2

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