SCHEMBL29601366

SCHEMBL29601366

COC(=O)[C@H]1CCc2cc(F)ccc2O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
MLNR O43193 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
KCNE1 P15382 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
CNR1 P21554 1/20 0.49
SLC6A2 P23975 1/20 0.49
NPY1R P25929 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
AVPR2 P30518 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL2005546 1.00 CYP4F2 (0.52) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL7229977 1.00 CYP4F2 (0.52) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL13762677 1.00 CYP4F2 (0.52) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL29587090 0.90 HDAC3 (0.54) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL29588035 0.85 NPC1 (0.50) CYP4F2CYP4A11OPRK1HDAC3HDAC1
SCHEMBL19174157 0.85 CYP4F2 (0.72) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL29397407 0.85 CYP4F2 (0.72) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL6846728 0.85 CYP4F2 (0.72) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL908570 0.85 CYP4F2 (0.72) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL14681244 0.85 CYP4F2 (0.72) CYP4F2CYP4A11MLNRADRB2ADRB1

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-120060394-A Nebivolol Process for the preparation of Er 苏州正济医药研究有限公司 2025-05-30 CN claimed
CN-114150036-A Continuous two-phase batch resolution process for preparing optically pure 6-fluoro-chroman-2-carboxylic acid 华东理工大学 2022-03-08 CN claimed
CN-120060394-A Nebivolol Process for the preparation of Er 苏州正济医药研究有限公司 2025-05-30 CN disclosed
CN-114150036-A Continuous two-phase batch resolution process for preparing optically pure 6-fluoro-chroman-2-carboxylic acid 华东理工大学 2022-03-08 CN disclosed