SCHEMBL19609079

SCHEMBL19609079

CC(C)(Br)C(=O)OC1CC/C=C\CCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CHRM3 P20309 13/20 0.37
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 6/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP3A4 P08684 1/20 0.32
SLC22A1 O15245 1/20 0.32

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
SCHEMBL23278795 0.87 CYP19A1 (0.43) CYP19A1CHRM3NPC1HTTRAB9A
SCHEMBL13220564 0.85 CYP19A1 (0.54) CYP19A1CHRM3NPC1HTTRAB9A
SCHEMBL21454934 0.85 CYP19A1 (0.54) CYP19A1CHRM3NPC1HTTRAB9A
SCHEMBL23018464 0.85 CYP19A1 (0.54) CYP19A1CHRM3NPC1HTTRAB9A
SCHEMBL4397862 0.85 CYP19A1 (0.54) CYP19A1CHRM3NPC1HTTRAB9A
SCHEMBL19609078 0.83 CYP19A1 (0.40) CYP19A1CHRM3NPC1HTTRAB9A
SCHEMBL868024 0.77 EPHX1 (0.36) CYP19A1CHRM3HTTCHRM2CYP2D6
SCHEMBL24884685 0.77 EPHX1 (0.36) CYP19A1CHRM3HTTCHRM2CYP2D6
SCHEMBL20839586 0.77 EPHX1 (0.36) CYP19A1CHRM3HTTCHRM2CYP2D6
SCHEMBL18236939 0.77 EPHX1 (0.36) CYP19A1CHRM3HTTCHRM2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455266-B1 GRAFT COPOLYMERS BASED ON POLYOLEFIN BACKBONE AND METHACRYLATE SIDE CHAINS EVONIK OPERATIONS GMBH (DE) 2020-10-28 EP disclosed
WO-2017194654-A1 GRAFT COPOLYMERS BASED ON POLYOLEFIN BACKBONE AND METHACRYLATE SIDE CHAINS EVONIK OIL ADDITIVES GMBH (DE) 2017-11-16 WO disclosed