SCHEMBL29953591

SCHEMBL29953591

CNc1ccc(C=O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
PTGS2 P35354 1/20 0.57
RAB9A P51151 1/20 0.57
APP P05067 3/20 0.54
ALDH1A1 P00352 6/20 0.52
AOX1 Q06278 1/20 0.52
ALDH5A1 P51649 3/20 0.47
ABAT P80404 3/20 0.47
TRIM24 O15164 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
TTR P02766 1/20 0.39
EGFR P00533 1/20 0.39
TSHR P16473 1/20 0.38
IDO1 P14902 1/20 0.38
XDH P47989 1/20 0.37

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
SCHEMBL15982258 1.00 KDM4E (0.57) KDM4EPTGS2RAB9AAPPALDH1A1
SCHEMBL29953163 0.84 KDM4E (0.57) KDM4EPTGS2RAB9AAPPALDH1A1
SCHEMBL29681880 0.81 ALDH1A1 (0.42) KDM4EPTGS2RAB9AAPPALDH1A1
SCHEMBL7273589 0.81 ALDH1A1 (0.42) KDM4EPTGS2RAB9AAPPALDH1A1
SCHEMBL29953797 0.79 RAB9A (0.62) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL9834769 0.78 KDM4E (0.50) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL10994369 0.78 ALDH1A1 (0.44) KDM4EPTGS2RAB9AAPPALDH1A1
SCHEMBL28387828 0.78 ALDH1A1 (0.39) KDM4EPTGS2RAB9AAPPALDH1A1
SCHEMBL13252561 0.77 APP (0.73) APP
SCHEMBL24281984 0.76 ALDH1A1 (0.38) KDM4EPTGS2RAB9AAPPALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed