SCHEMBL2649646

SCHEMBL2649646

O=Cc1ccc(CCC(=O)O)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.48
▸ KEAP1 Q14145 3/20 0.44
▸ FFAR4 Q5NUL3 2/20 0.42
▸ NFE2L2 Q16236 2/20 0.42
▸ FFAR1 O14842 3/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL6129578 0.86 PARP1 (0.59) PARP1KEAP1FFAR4NFE2L2FFAR1
SCHEMBL30566287 0.86 PARP1 (0.59) PARP1KEAP1FFAR4NFE2L2FFAR1
SCHEMBL2650362 0.85 MPO (0.41) PARP1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL2650202 0.83 TDP1 (0.53) MEN1KMT2APTGDR2
SCHEMBL2649197 0.81 MEN1 (0.38) SMN1; SMN2MEN1KMT2A
SCHEMBL17537941 0.80 HDAC3 (0.59) PARP1KEAP1FFAR4NFE2L2FFAR1
SCHEMBL2650308 0.79 CYP4F2 (0.58) SMN1; SMN2KMT2A
SCHEMBL9072247 0.79 MAPT (0.40) HDAC6MEN1KMT2A
SCHEMBL17537567 0.79 TDP1 (0.56) PARP1KEAP1FFAR4NFE2L2FFAR1
SCHEMBL2563233 0.79 KEAP1 (0.50) PARP1KEAP1FFAR4FFAR1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 — — US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 — — EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 — — WO disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 — — WO disclosed
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