SCHEMBL8020591

SCHEMBL8020591

Bc1cc(C=O)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.64
▸ PTGS2 P35354 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ ALDH1A1 P00352 6/20 0.52
▸ ALDH5A1 P51649 3/20 0.52
▸ ABAT P80404 3/20 0.52
▸ TRIM24 O15164 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ TRIM33 Q9UPN9 1/20 0.52
▸ AOX1 Q06278 1/20 0.47
▸ XDH P47989 1/20 0.41
▸ LCK P06239 1/20 0.39
▸ TTR P02766 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ ERN1 O75460 3/20 0.38
▸ TSHR P16473 1/20 0.38

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
Protocatechualdehyde SCHEMBL29349539 0.78 KDM4E (1.00) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
Protocatechualdehyde SCHEMBL36350 0.78 KDM4E (1.00) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
Protocatechualdehyde SCHEMBL9512877 0.78 KDM4E (1.00) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
Protocatechualdehyde SCHEMBL27876787 0.76 KDM4E (0.95) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
Protocatechualdehyde SCHEMBL27748932 0.76 KDM4E (0.95) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
Protocatechualdehyde SCHEMBL4072910 0.76 KDM4E (0.95) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
Protocatechualdehyde SCHEMBL1668848 0.76 KDM4E (0.95) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
Protocatechualdehyde SCHEMBL28808068 0.74 KDM4E (0.91) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL1527062 0.74 KDM4E (0.67) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
Protocatechualdehyde SCHEMBL29196221 0.74 KDM4E (0.91) KDM4EPTGS2RAB9AALDH1A1ALDH5A1

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
EP-3960734-B1 PLATELET AGGREGATION INHIBITOR, PREPARATION AND USES THEREOF SHENYANG HINEWY PHARMACEUTICAL TECH CO LTD (CN) 2023-10-11 — — EP disclosed
EP-2146954-B1 METHOD FOR THE SYNTHESIS OF (Z)-3-[2-BUTOXY-3'-(3-HEPTYL-1-METHYL-UREIDO)-BIPHENYL-4-YL]-2-METHOXY-ACRYLIC ACID GALDERMA RES & DEV (FR) 2012-10-31 — — EP disclosed
WO-2009098287-A1 PHENYL-PRENYL DERIVATIVES, OF MARINE AND SYNTHETIC ORIGIN, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA S.A. (ES) 2009-08-13 — — WO disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 — — WO disclosed
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