SCHEMBL29953797

SCHEMBL29953797

CC(=O)Nc1ccc(C=O)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
POLB P06746 2/20 0.62
NPC1 O15118 1/20 0.62
MAPT P10636 1/20 0.62
KDM4E B2RXH2 3/20 0.52
PTGS2 P35354 1/20 0.52
ALDH1A1 P00352 4/20 0.47
AOX1 Q06278 1/20 0.47
HPGD P15428 2/20 0.43
TRIM24 O15164 1/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
APOBEC3A P31941 1/20 0.42
GFER P55789 1/20 0.42
HDAC1 Q13547 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
LMNA P02545 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
SCHEMBL7684154 0.86 KDM4E (0.54) RAB9APOLBNPC1MAPTKDM4E
SCHEMBL29957610 0.86 KDM4E (0.54) RAB9APOLBNPC1MAPTKDM4E
SCHEMBL7535750 0.82 RAB9A (0.52) RAB9APOLBNPC1MAPTKDM4E
SCHEMBL7013927 0.82 ALDH1A1 (0.52) RAB9APOLBNPC1MAPTKDM4E
SCHEMBL618118 0.81 CA1 (0.54) RAB9APOLBNPC1MAPTKDM4E
SCHEMBL7058277 0.81 CA1 (0.54) RAB9APOLBNPC1MAPTKDM4E
SCHEMBL6108998 0.81 HDAC1 (0.55) RAB9APOLBNPC1MAPTKDM4E
SCHEMBL7061559 0.81 CA1 (0.55) RAB9APOLBNPC1MAPTKDM4E
SCHEMBL21428871 0.80 MAPT (0.56) RAB9APOLBNPC1MAPTKDM4E
SCHEMBL29953591 0.79 KDM4E (0.57) RAB9AKDM4EPTGS2ALDH1A1AOX1

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