SCHEMBL30969145

SCHEMBL30969145

CCOC(=O)C(C)C(=O)c1ncc(Br)cc1SCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 4/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
OPRK1 P41145 1/20 0.31
GABRP O00591 1/20 0.31

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
SCHEMBL25202284 1.00 NPSR1 (0.35) NPSR1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL24212384 0.83 TARBP2 (0.39) NPSR1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL29362361 0.83 TARBP2 (0.39) NPSR1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL23629368 0.82 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL25210087 0.79 HPGD (0.42) NPSR1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL30969148 0.79 HPGD (0.42) NPSR1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL30107041 0.77 SMN1; SMN2 (0.39) NPSR1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL17422370 0.77 POLB (0.40) MAPTSMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL17732146 0.77 SMN1; SMN2 (0.39) NPSR1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL17422583 0.76 MAPT (0.41) NPSR1MAPTSMN1; SMN2KDM4EHSD17B10

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-118355017-A Bicyclic compounds for controlling invertebrate pests 巴斯夫欧洲公司 2024-07-16 CN disclosed