SCHEMBL29957763

SCHEMBL29957763

CNc1ccc(C=O)c(OC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
RORC P51449 1/20 0.40
ALDH1A1 P00352 4/20 0.37
PDE4B Q07343 3/20 0.33
KAT2B Q92831 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.31
S1PR5 Q9H228 1/20 0.31
EGFR P00533 1/20 0.31
CYP19A1 P11511 2/20 0.31
IDO1 P14902 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
PTGES O14684 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL29951339 0.88 RORC (0.43) POLBRORCALDH1A1PDE4BKAT2B
SCHEMBL29953007 0.77 KAT2B (0.43) PDE4BKAT2BBAZ2BPDE4APDE4C
SCHEMBL28753989 0.76 RORC (0.40) POLBRORCNPSR1MEN1MAPT
SCHEMBL29333351 0.76 POLB (0.47) POLBALDH1A1
SCHEMBL29952250 0.76 POLB (0.40) POLBRORCALDH1A1NPC1RAB9A
SCHEMBL24190659 0.76 TDP1 (0.48) POLBRORC
SCHEMBL30396359 0.76 TDP1 (0.48) POLBRORC
SCHEMBL21643931 0.75 ALDH1A1 (0.44) POLBRORCALDH1A1PDE4BL3MBTL1
SCHEMBL18031289 0.75 MAPT (0.47) ALDH1A1PDE4BNPC1RAB9AMAPT
SCHEMBL29955501 0.74 POLB (0.43) POLB

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