SCHEMBL28025960

SCHEMBL28025960

CC1(C)CC(c2ccccc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
KDM1A O60341 4/20 0.42
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR2A P28223 1/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRD1 P41143 1/20 0.40

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
SCHEMBL6599318 0.81 SLC6A2 (0.52) SIGMAR1KDM1AMAOAMAOBSLC6A2
SCHEMBL17276113 0.76 SIGMAR1 (0.37) SIGMAR1KDM1AMAOAMAOBSLC6A2
SCHEMBL17276340 0.76 SIGMAR1 (0.37) SIGMAR1KDM1AMAOAMAOBSLC6A2
SCHEMBL11205351 0.76 SIGMAR1 (0.41) SIGMAR1KDM1AMAOAMAOBHTR2A
SCHEMBL10546397 0.75 SIGMAR1 (0.41) SIGMAR1KDM1AMAOAMAOBHTR2A
SCHEMBL2334156 0.74 PRCP (0.43) KDM1AMAOAMAOBHTR2ATSHR
SCHEMBL28623848 0.74 SIGMAR1 (0.40) SIGMAR1KDM1AMAOAMAOBHTR2A
SCHEMBL28615808 0.74 SIGMAR1 (0.40) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL29415514 0.74 ALDH1A1 (0.46) HTR2A
SCHEMBL30027759 0.74 ALDH1A1 (0.46) HTR2A

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-104822697-A Bridged metallocene compounds, catalyst systems and polymerization processes using the same EXXONMOBIL CHEM PATENTS INC 2015-08-05 CN disclosed