SCHEMBL28180726

SCHEMBL28180726

CCCCNn1nnc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 9/20 1.00
CYP1A2 P05177 1/20 0.62
CYP2C8 P10632 1/20 0.62
CYP2B6 P20813 1/20 0.62
CYP4F8 P98187 1/20 0.62
CYP4F12 Q9HCS2 1/20 0.62
SLC9A1 P19634 7/20 0.55
ASAH1 Q13510 1/20 0.50
KEAP1 Q14145 1/20 0.44
BCHE P06276 1/20 0.44
TRPC3 Q13507 1/20 0.44
TRPC4 Q9UBN4 1/20 0.44
TRPC5 Q9UL62 1/20 0.44
TOP2A P11388 1/20 0.43

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
SCHEMBL14679890 0.83 CYP4Z1 (0.71) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL28514158 0.82 CYP4Z1 (0.68) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL30882113 0.82 CYP4Z1 (0.68) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
Hydrochloric Acid SCHEMBL11463144 0.78 CYP4Z1 (0.64) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL5891863 0.75 CYP4Z1 (0.60) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL5434963 0.75 SLC9A1 (0.65) CYP4Z1CYP1A2SLC9A1ASAH1BCHE
SCHEMBL5662069 0.73 CYP4Z1 (0.57) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL29518725 0.73 CYP4Z1 (0.57) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL5430545 0.73 CYP4Z1 (0.57) CYP4Z1SLC9A1ASAH1KEAP1BCHE
SCHEMBL299316 0.72 CYP4Z1 (0.56) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8

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-107189847-A A kind of non-zinc anti-wear hydraulic oils 武汉诺通润滑科技有限公司 2017-09-22 CN claimed