SCHEMBL29975936

SCHEMBL29975936

CCCCOC(=O)C=CC=Cc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.54
ATM Q13315 1/20 0.51
POLB P06746 1/20 0.49
HCAR2 Q8TDS4 1/20 0.46
LMNA P02545 3/20 0.46
ESR1 P03372 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL6058964 0.90 APP (0.66) APPATMPOLBLMNAESR1
SCHEMBL6058957 0.90 APP (0.66) APPATMPOLBLMNAESR1
SCHEMBL2396951 0.86 TDP1 (0.59) APPATMHCAR2LMNATDP1
SCHEMBL10666226 0.85 CA12 (0.58) POLBLMNAMAOB
SCHEMBL19244339 0.81 APP (0.64) APPPOLBLMNAMAOBTDP1
SCHEMBL19244340 0.81 APP (0.64) APPPOLBLMNAMAOBTDP1
SCHEMBL12492083 0.79 FDPS (0.57) APPSMN1; SMN2MAOB
SCHEMBL14992789 0.78 ATM (0.83) APPATMHCAR2SMN1; SMN2TDP1
SCHEMBL12975138 0.78 ATM (0.83) APPATMHCAR2SMN1; SMN2TDP1
SCHEMBL821281 0.78 ATM (0.83) APPATMHCAR2SMN1; SMN2TDP1

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-115073294-A Method for synthesizing axial chiral aryl conjugated diene through asymmetric alfa-C-H olefination reaction and product thereof 杭州师范大学 2022-09-20 CN disclosed