SCHEMBL24801656

SCHEMBL24801656

CCOC(=O)C1(C)CC(c2cc(F)cc(F)c2)=CO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.34
XPO1 O14980 1/20 0.34
BRD4 O60885 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
PGR P06401 1/20 0.31
ALDH1A1 P00352 4/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
CA1 P00915 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
SCHEMBL24802590 0.84 CNR2 (0.38) OPRM1BRD4MAPTMEN1KMT2A
SCHEMBL24827400 0.83 ABCB11 (0.33) OPRM1XPO1ALDH1A1MAPTATM
SCHEMBL29165049 0.81 NPC1 (0.35) OPRM1XPO1OPRD1OPRK1ALDH1A1
SCHEMBL24803112 0.80 HCAR3 (0.36) PGRCA1CA2
SCHEMBL29186827 0.74 OPRM1 (0.34) OPRM1XPO1BRD4OPRD1OPRK1
SCHEMBL24802589 0.73 BRD4 (0.37) OPRM1BRD4OPRD1OPRK1ALDH1A1
SCHEMBL24804100 0.72 CA1 (0.32) GAAMEN1KMT2ATSHRCA1
SCHEMBL24804103 0.72 CA1 (0.32) GAAMEN1KMT2ATSHRCA1
SCHEMBL24801657 0.69 HCAR3 (0.30)
SCHEMBL12819266 0.69 CA1 (0.47) OPRM1XPO1MAPTKDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117616018-A Herbicidal aryl dihydrofuran carboxylic acid esters 巴斯夫欧洲公司 2024-02-27 CN disclosed
WO-2022268564-A1 HERBICIDAL ARYLDIHYDROFURANE CARBOXYLATES BASF SE (DE) 2022-12-29 WO disclosed
WO-2022268563-A1 HERBICIDAL ARYLCYCLOPENTENE CARBOXAMIDES BASF SE (DE) 2022-12-29 WO disclosed