SCHEMBL29953787

SCHEMBL29953787

C#CCc1cccc(C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.45
MAOB P27338 7/20 0.45
ALDH1A1 P00352 3/20 0.44
UNG P13051 1/20 0.40
CYP2A6 P11509 1/20 0.38
FFAR1 O14842 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SRC P12931 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2561914 0.81 ENPP2 (0.49) MAOAMAOBALDH1A1UNGCYP2A6
SCHEMBL16948178 0.79 PYCR1 (0.46) MAOAMAOBALDH1A1UNGNPC1
SCHEMBL9350384 0.79 MEN1 (0.41) MAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL10664885 0.78 MAOA (0.42) MAOAMAOBALDH1A1UNGCYP2A6
SCHEMBL6852425 0.77 ALDH1A1 (0.52) MAOAMAOBALDH1A1UNGCYP2A6
SCHEMBL9360751 0.76 ALDH1A1 (0.41) MAOAMAOBALDH1A1UNGFFAR1
SCHEMBL4137976 0.75 CYP2A6 (0.41) ALDH1A1CYP2A6RAB9ASMN1; SMN2
SCHEMBL9079801 0.75 MAOA (0.50) MAOAMAOBALDH1A1UNGCYP2A6
SCHEMBL21054946 0.74 MAOA (0.40) MAOAMAOBALDH1A1UNGCYP2A6
SCHEMBL1405364 0.74 MAOA (0.49) MAOAMAOBALDH1A1UNGCYP2A6

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