SCHEMBL9280210

SCHEMBL9280210

N[C](C(=Cc1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.61
MAPT P10636 6/20 0.52
HPGD P15428 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 4/20 0.52
HTT P42858 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 4/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
TRPA1 O75762 1/20 0.44
CHRM1 P11229 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
SCHEMBL7714067 0.85 AKR1C1 (0.59) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL3296981 0.84 AKR1C1 (0.74) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL80025 0.84 AKR1C1 (0.74) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL23593943 0.81 AKR1C1 (0.70) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL2836206 0.81 AKR1C1 (0.70) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL6689798 0.81 AKR1C1 (0.70) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL39275 0.76 AKR1C1 (1.00) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL290469 0.76 AKR1C1 (1.00) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL181529 0.76 AKR1C1 (1.00) AKR1C1MAPTHPGDMEN1KMT2A
Phosphoric Acid SCHEMBL3676597 0.75 AKR1C1 (0.61) AKR1C1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405688-A High modulus, toughness DOW CORNING CORPORATION (US) 1995-04-11 US disclosed
US-5378532-A Epoxy resin/aminofunctional polysiloxane fiber-reinforced composite DOW CORNING CORPORATION (US) 1995-01-03 US disclosed
US-5135993-A Phenyl-amd aminofunctional polysiloxanes DOW CORNING CORPORATION (US) 1992-08-04 US disclosed