SCHEMBL28901166

SCHEMBL28901166

CCC(C)(C)c1ccc2c(c1)C(=O)N(O)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 2/20 0.57
CASP3 P42574 2/20 0.57
RAB9A P51151 2/20 0.57
SENP8 Q96LD8 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP6 Q9GZR1 2/20 0.57
LMNA P02545 1/20 0.57
ATM Q13315 1/20 0.57
CA9 Q16790 5/20 0.41
CA1 P00915 4/20 0.41
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA4 P22748 1/20 0.36

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
SCHEMBL6938706 0.82 CA9 (0.45) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL29012533 0.77 NPC1 (0.89) MAPK1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL9161004 0.74 NPC1 (0.62) MAPK1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL3822609 0.72 ESR1 (0.39) CA9CA1CA12CA2POLB
SCHEMBL29012535 0.72 NPC1 (0.81) MAPK1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL29482674 0.72 NPC1 (1.00) MAPK1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL187755 0.72 NPC1 (1.00) MAPK1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL340143 0.72 NPC1 (0.55) MAPK1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL13824790 0.71 NPC1 (0.90) MAPK1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL30811432 0.70 NPC1 (0.76) MAPK1SMN1; SMN2NPC1CASP3RAB9A

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-115073453-A Oil slurry scale inhibitor and preparation method thereof 威海翔泽新材料科技有限公司 2022-09-20 CN claimed