SCHEMBL21886000

SCHEMBL21886000

O=Cc1ccc(BO)c(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH5A1 P51649 3/20 0.34
▸ ABAT P80404 3/20 0.34
▸ AOX1 Q06278 1/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TRIM33 Q9UPN9 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KIF11 P52732 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ FDPS P14324 1/20 0.32
▸ UNG P13051 1/20 0.32
▸ ALDH1A3 P47895 1/20 0.31

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
SCHEMBL2601956 0.78 KDM4E (0.46) ALDH1A1RAB9AKDM4EPTGS2TDP1
SCHEMBL4371754 0.75 KDM4E (0.59) ALDH1A1RAB9AKDM4EPTGS2TDP1
SCHEMBL30225085 0.75 KDM4E (0.59) ALDH1A1RAB9AKDM4EPTGS2TDP1
SCHEMBL4367756 0.73 KDM4E (0.42) ALDH1A1RAB9AKDM4EPTGS2TDP1
SCHEMBL4339392 0.73 ALDH1A1 (0.44) ALDH1A1RAB9AKDM4EPTGS2TDP1
SCHEMBL25371194 0.73 ALDH1A1 (0.57) ALDH1A1RAB9AKDM4EPTGS2TDP1
SCHEMBL4769958 0.73 ALDH1A3 (0.43) ALDH1A1RAB9AKDM4EPTGS2TDP1
SCHEMBL13644405 0.73 ALDH1A1 (0.43) ALDH1A1RAB9AKDM4EPTGS2TDP1
SCHEMBL13644404 0.73 ALDH1A1 (0.43) ALDH1A1RAB9AKDM4EPTGS2TDP1
SCHEMBL29955595 0.73 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1ALDH5A1ABAT

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
EP-3632908-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER Inventiva (FR) 2020-04-08 — — EP disclosed
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