SCHEMBL29951885

SCHEMBL29951885

CCc1cccc(O)c1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
ERN1 O75460 2/20 0.42
IAPP P10997 5/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ANPEP P15144 1/20 0.40
DPP4 P27487 1/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
DAO P14920 2/20 0.39
DDO Q99489 1/20 0.39
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HSPA5 P11021 1/20 0.38

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
SCHEMBL1527075 1.00 GABRA1 (0.52) GABRA1GABRB2ERN1IAPPCA1
SCHEMBL7090370 0.91 GABRA1 (0.44) GABRA1GABRB2ERN1IAPPCA1
SCHEMBL1527068 0.86 IAPP (0.44) GABRA1GABRB2IAPP
SCHEMBL5429057 0.85 HSPA5 (0.50) GABRA1GABRB2ERN1CA1CA2
SCHEMBL320588 0.84 GABRA1 (0.50) GABRA1GABRB2
SCHEMBL1527069 0.83 BID (0.50) IAPPTSHR
SCHEMBL11771453 0.83 GABRA1 (0.52) GABRA1GABRB2IAPPCA1CA2
SCHEMBL4709719 0.83 ERN1 (0.46) GABRA1GABRB2ERN1CA2TRIM24
SCHEMBL1527143 0.82 BID (0.56) IAPP
SCHEMBL4390000 0.82 ERN1 (0.41) GABRA1GABRB2ERN1IAPPCA1

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