SCHEMBL29951708

SCHEMBL29951708

NCc1ccc(C=O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
PTGS2 P35354 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 5/20 0.47
AOX1 Q06278 1/20 0.47
ALDH5A1 P51649 3/20 0.43
ABAT P80404 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TRIM24 O15164 1/20 0.43
HPGD P15428 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
TTR P02766 1/20 0.39
UNG P13051 1/20 0.37
XDH P47989 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LCK P06239 1/20 0.35

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
SCHEMBL3098096 0.84 PTGS2 (0.57) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL29952824 0.84 PTGS2 (0.57) KDM4EPTGS2RAB9AALDH1A1AOX1
Hydrochloric Acid SCHEMBL18281030 0.82 PTGS2 (0.55) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL3431177 0.82 KDM4E (0.59) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL5521189 0.82 KDM4E (0.59) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL17694445 0.81 KDM4E (0.53) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL22339079 0.80 ALDH1A1 (0.43) KDM4EPTGS2RAB9AALDH1A1TDP1
SCHEMBL8799179 0.78 KDM4E (0.55) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL21974125 0.77 CNR2 (0.53) KDM4ERAB9AALDH1A1TDP1HPGD
SCHEMBL7251582 0.77 KDM4E (0.53) KDM4EPTGS2RAB9AALDH1A1AOX1

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