SCHEMBL3137555

SCHEMBL3137555

Cc1ccc(CCC(=O)O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.53
▸ PARP1 P09874 1/20 0.50
▸ KEAP1 Q14145 3/20 0.47
▸ NFE2L2 Q16236 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SLC22A12 Q96S37 1/20 0.45
▸ FFAR1 O14842 3/20 0.45
▸ FFAR4 Q5NUL3 3/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44

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
SCHEMBL29534453 1.00 NPSR1 (0.53) NPSR1PARP1KEAP1NFE2L2CYP1A2
SCHEMBL6129578 0.89 PARP1 (0.59) NPSR1PARP1KEAP1NFE2L2CYP1A2
SCHEMBL30566287 0.89 PARP1 (0.59) NPSR1PARP1KEAP1NFE2L2CYP1A2
SCHEMBL17537941 0.83 HDAC3 (0.59) PARP1KEAP1NFE2L2CYP1A2FFAR1
SCHEMBL27741466 0.81 TDP1 (0.56) CYP1A2KDM4ESMN1; SMN2
SCHEMBL17537567 0.81 TDP1 (0.56) PARP1KEAP1NFE2L2SLC22A12FFAR1
SCHEMBL21333890 0.81 CCNC (0.44) NPSR1PARP1KEAP1NFE2L2KDM4E
SCHEMBL5696745 0.81 PARP1 (0.69) NPSR1PARP1KEAP1NFE2L2KDM4E
SCHEMBL17537942 0.80 MAPT (0.56) PARP1KEAP1CYP1A2FFAR1HDAC3
SCHEMBL17537572 0.79 HDAC3 (0.63) PARP1KEAP1CYP1A2FFAR1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642215-B2 Chemically-resistant shelter coatings LOMBARDI JOHN 2010-01-05 — — US claimed
US-20080153690-A1 CHEMICALLY-RESISTANT SHELTER COATINGS LOMBARDI JOHN L 2008-06-26 — — US claimed
US-7259122-B1 Chemically-resistant shelter coating LOMBARDI JOHN 2007-08-21 — — US claimed
CN-114249754-B Molecular oxygen delivery agent based on internal peroxide structure and application 大连理工大学 2022-11-25 — — CN disclosed
CN-114249754-A Molecular oxygen delivery agent based on internal peroxide structure and application 大连理工大学 2022-03-29 — — CN disclosed
US-20040220416-A1 Process for the singlet oxygen oxidation of organic substrates DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO (AT) 2004-11-04 — — US disclosed
EP-1403234-A2 Process for singlet oxygen oxidation of organic substrates DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-03-31 — — EP disclosed
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