SCHEMBL31133355

SCHEMBL31133355

O=C(O)c1cnc2c(c1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GPR183 P32249 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.40
VNN1 O95497 2/20 0.40
STAT3 P40763 1/20 0.40
TSHR P16473 2/20 0.40
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
USP9X Q93008 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NTRK1 P04629 1/20 0.38
CTNNB1 P35222 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P4HA1 P13674 1/20 0.37
P4HTM Q9NXG6 1/20 0.37

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
SCHEMBL16044509 1.00 MGAM (0.42) MGAMGPR183ALDH1A1MAPK1POLB
SCHEMBL104460 0.84 KDM4E (0.50) GPR183ALDH1A1POLBVNN1TSHR
SCHEMBL25787974 0.84 TSHR (0.54) GPR183POLBVNN1TSHRMAPT
SCHEMBL14645431 0.80 NPC1 (0.40) GPR183POLBVNN1TSHRPKM
SCHEMBL19020851 0.79 MGAM (0.51) MGAMALDH1A1MAPK1POLBVNN1
SCHEMBL29618351 0.77 ALDH1A1 (0.40) MGAMALDH1A1MAPK1POLBVNN1
SCHEMBL10650921 0.77 MGAM (0.41) MGAMALDH1A1POLBKDM4EP4HA1
SCHEMBL30133833 0.76 MGAM (0.37) MGAMALDH1A1MAPK1POLBKDM4E
SCHEMBL17996637 0.76 NTRK1 (0.41) GPR183ALDH1A1POLBVNN1TSHR
SCHEMBL21816424 0.75 MGLL (0.40) MGAMALDH1A1MAPK1POLBVNN1

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
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed