SCHEMBL28700825

SCHEMBL28700825

O=C(c1c[c]ccc1)C1CCC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ KMO O15229 2/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DGAT1 O75907 4/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CPB1 P15086 1/20 0.31
▸ ELANE P08246 1/20 0.31

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
SCHEMBL4741131 0.84 NPC1 (0.39) SMN1; SMN2HTR2ACPB1
SCHEMBL2980744 0.72 AKR1C3 (0.56) AKR1C3AKR1C1HTR2ACPB1ELANE
SCHEMBL2980746 0.72 AKR1C3 (0.56) AKR1C3AKR1C1HTR2ACPB1ELANE
SCHEMBL2980743 0.72 AKR1C3 (0.56) AKR1C3AKR1C1HTR2ACPB1ELANE
SCHEMBL28416394 0.72 HTR1F (0.46) HTR2ACPB1
SCHEMBL11792229 0.69 AKR1C3 (0.49) AKR1C3AKR1C1HTR2ACPB1
SCHEMBL28700750 0.68 ADORA2A (0.42) KMO
SCHEMBL7428185 0.68 MAPT (0.56) SMN1; SMN2CPB1
SCHEMBL129247 0.67 — —
SCHEMBL2019219 0.67 GABRR1 (0.52) AKR1C3AKR1C1CYP2C19

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-113968971-A Preparation method of soluble and low-temperature rapid imidization polyimide film 富优特(山东)新材料科技有限公司 2022-01-25 — — CN disclosed
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