SCHEMBL23064645

SCHEMBL23064645

CNC(=O)OC1CCC(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
CHRM1 P11229 1/20 0.39
KCNA3 P22001 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NAAA Q02083 1/20 0.33
BCHE P06276 2/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KAT2B Q92831 1/20 0.31
BAZ2B Q9UIF8 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
SCHEMBL10810342 0.83 EPHX1 (0.47) EPHX1CHRM1KCNA3SMN1; SMN2NAAA
SCHEMBL103736 0.83
Hydrochloric Acid SCHEMBL28974203 0.81
SCHEMBL28132612 0.80 EPHX1 (0.37) EPHX1SMN1; SMN2NAAATSHRALDH1A1
SCHEMBL25277512 0.79 EPHX1 (0.36) EPHX1SMN1; SMN2NAAA
SCHEMBL966301 0.79 EPHX1 (0.59) EPHX1CHRM1SMN1; SMN2NAAATSHR
SCHEMBL1752291 0.79
SCHEMBL28266823 0.78 EPHX1 (0.35) EPHX1SMN1; SMN2NAAA
SCHEMBL19312134 0.77 EPHX1 (0.62) EPHX1CHRM1SMN1; SMN2NAAATSHR
SCHEMBL16230019 0.77 EPHX1 (0.62) EPHX1CHRM1SMN1; SMN2NAAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 EP disclosed
EP-4146649-A1 COMPOUNDS AS BCL-2 INHIBITORS Fochon Pharmaceuticals, Ltd. (CN) 2023-03-15 EP disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO disclosed
CN-109897038-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2022-04-05 CN disclosed
WO-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 WO disclosed
CN-108175749-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2021-09-10 CN disclosed
EP-3788042-A1 BCL-2 INHIBITORS BeiGene, Ltd. (KY) 2021-03-10 EP disclosed