SCHEMBL28616059

SCHEMBL28616059

CC12C=CC(C(c3ccccc3)C1)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.40
MAOA P21397 12/20 0.40
KDM1A O60341 11/20 0.40
HTR2C P28335 5/20 0.35
CYP2C19 P33261 4/20 0.35
CYP2B6 P20813 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
LMNA P02545 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2A6 P11509 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL28614660 0.66
SCHEMBL4104181 0.66 KDM1A (0.41) MAOBMAOAKDM1AHTR2CCYP2C19
SCHEMBL2261976 0.63 MAOB (0.65) MAOBMAOAKDM1AHTR2CCYP2C19
SCHEMBL8845464 0.63 MAOB (0.65) MAOBMAOAKDM1AHTR2CCYP2C19
SCHEMBL10540521 0.63 MAOB (0.65) MAOBMAOAKDM1AHTR2CCYP2C19
SCHEMBL28915988 0.63 MAOB (0.52) MAOBMAOAKDM1AHTR2CCYP2C19
SCHEMBL28626912 0.62
SCHEMBL28535018 0.62
SCHEMBL28628849 0.62
SCHEMBL27470101 0.61 MAOB (0.37) MAOBMAOAKDM1AHTR2CCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113286830-B Polymers for special applications 马特里亚公司 2024-11-19 CN disclosed
CN-113286830-A Polymers for special applications 马特里亚公司 2021-08-20 CN disclosed