SCHEMBL29025473

SCHEMBL29025473

OCCCOc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
MRGPRX4 Q96LA9 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SCN9A Q15858 2/20 0.44
PLAU P00749 1/20 0.44

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
SCHEMBL30433202 1.00 SMN1; SMN2 (0.52) SMN1; SMN2MRGPRX4RAB9AALDH1A1GAA
SCHEMBL19664461 0.92 SMN1; SMN2 (0.53) SMN1; SMN2MRGPRX4RAB9AALDH1A1GAA
SCHEMBL22809511 0.84 CYP1A2 (0.51) SMN1; SMN2MRGPRX4RAB9AALDH1A1HTT
SCHEMBL16592086 0.84 SMN1; SMN2 (0.52) SMN1; SMN2MRGPRX4RAB9AALDH1A1CYP1A2
SCHEMBL13197550 0.83 CYP1A2 (0.52) SMN1; SMN2MRGPRX4RAB9AALDH1A1CYP1A2
SCHEMBL16592103 0.83 CYP1A2 (0.52) SMN1; SMN2MRGPRX4RAB9AALDH1A1GAA
SCHEMBL7076374 0.81 RAB9A (0.51) SMN1; SMN2MRGPRX4RAB9AALDH1A1GAA
SCHEMBL7075911 0.81 RAB9A (0.51) SMN1; SMN2MRGPRX4RAB9AALDH1A1GAA
SCHEMBL22809637 0.81 ALDH1A1 (0.51) SMN1; SMN2MRGPRX4RAB9AALDH1A1HTT
SCHEMBL22809449 0.79 SCN9A (0.50) SMN1; SMN2MRGPRX4RAB9AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178249-B Ether derivative with insecticidal and acaricidal activities as well as preparation method and application thereof 北京亦农生物科技有限公司 2024-02-09 CN claimed
CN-116178249-A Ether derivative with insecticidal and acaricidal activities as well as preparation method and application thereof 北京亦农生物科技有限公司 2023-05-30 CN claimed
CN-116178249-B Ether derivative with insecticidal and acaricidal activities as well as preparation method and application thereof 北京亦农生物科技有限公司 2024-02-09 CN disclosed
CN-116178249-A Ether derivative with insecticidal and acaricidal activities as well as preparation method and application thereof 北京亦农生物科技有限公司 2023-05-30 CN disclosed