SCHEMBL5013834

SCHEMBL5013834

C[C](CCCc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
CTNNB1 P35222 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MCL1 Q07820 2/20 0.44
GPR84 Q9NQS5 2/20 0.44
MTNR1A P48039 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NQO2 P16083 1/20 0.42

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
SCHEMBL5010152 0.90 GPR84 (0.49) CTNNB1TDP1GPR84MTNR1ACYP1A2
SCHEMBL11220512 0.81 CTNNB1 (0.45) SIGMAR1CTNNB1TDP1MCL1GPR84
SCHEMBL5008796 0.80 TDP1 (0.59) CTNNB1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL2314388 0.78 MEN1 (0.66) TDP1MCL1MTNR1ACYP1A2CYP2D6
SCHEMBL18973519 0.77 MTNR1A (0.43) SIGMAR1TDP1MCL1GPR84MTNR1A
SCHEMBL9800436 0.76 CYP1A2 (0.58) SIGMAR1TDP1MCL1GPR84MTNR1A
SCHEMBL5830948 0.76 GPR84 (0.59) SIGMAR1TDP1MCL1GPR84MTNR1A
SCHEMBL17289204 0.76 MTNR1A (0.46) SIGMAR1TDP1MCL1GPR84MTNR1A
SCHEMBL29137509 0.75 ACP3 (0.52) TDP1GPR84MTNR1ACYP1A2CYP2D6
SCHEMBL5008804 0.75 PTGER1 (0.43) TDP1KMT2A

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
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed