SCHEMBL2779565

SCHEMBL2779565

O=Cc1ccc(OCCCBr)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.56
▸ AOX1 Q06278 1/20 0.56
▸ FDPS P14324 1/20 0.49
▸ RAB9A P51151 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ TTR P02766 2/20 0.47
▸ HPGD P15428 4/20 0.44
▸ TRIM24 O15164 1/20 0.44
▸ ALDH5A1 P51649 1/20 0.44
▸ ABAT P80404 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TRIM33 Q9UPN9 1/20 0.44
▸ CYP2C9 P11712 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 6/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41

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
SCHEMBL15853570 0.94 ALDH1A1 (0.53) ALDH1A1AOX1FDPSRAB9AKDM4E
SCHEMBL15853575 0.94 ALDH1A1 (0.53) ALDH1A1AOX1FDPSRAB9AKDM4E
SCHEMBL31402822 0.94 ALDH1A1 (0.53) ALDH1A1AOX1FDPSRAB9AKDM4E
SCHEMBL16472560 0.94 ALDH1A1 (0.53) ALDH1A1AOX1FDPSRAB9AKDM4E
SCHEMBL15853568 0.88 ALDH1A1 (0.61) ALDH1A1AOX1FDPSRAB9AKDM4E
SCHEMBL16472557 0.88 ALDH1A1 (0.61) ALDH1A1AOX1FDPSRAB9AKDM4E
SCHEMBL2778315 0.84 ALDH1A1 (0.56) ALDH1A1AOX1FDPSRAB9AKDM4E
SCHEMBL15952417 0.84 ALDH1A1 (0.56) ALDH1A1AOX1FDPSRAB9AKDM4E
SCHEMBL1425314 0.84 ALDH1A1 (0.60) ALDH1A1AOX1FDPSRAB9AKDM4E
SCHEMBL11766326 0.83 ALDH1A1 (0.59) ALDH1A1AOX1FDPSRAB9AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220676-A1 MRNA DEGRADERS AND METHODS OF USE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-10-24 — — WO disclosed
WO-2010118968-A1 NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-10-21 — — WO disclosed
WO-2010118968-A1 NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-10-21 — — WO disclosed
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