SCHEMBL1313656

SCHEMBL1313656

OC1CC=Cc2cc3ccccc3cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 1/20 0.33
KCNH2 Q12809 1/20 0.33
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
KLKB1 P03952 1/20 0.32
KLK1 P06870 1/20 0.32
PRSS1 P07477 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
TP53 P04637 2/20 0.30

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
SCHEMBL5025415 0.78 CYP2A6 (0.33) CYP1A2SLC6A4SLC6A3CYP2D6SLC6A2
SCHEMBL25549138 0.78 ALDH1A1 (0.33) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2
SCHEMBL29404792 0.76 HTR2A (0.38) SLC6A3CYP2D6SLC6A2KCNH2KDM4E
SCHEMBL1974788 0.76 HTR2A (0.38) SLC6A3CYP2D6SLC6A2KCNH2KDM4E
SCHEMBL11433359 0.76 POLB (0.38) CES2CES1KDM4EMEN1ALDH1A1
SCHEMBL10878544 0.75 TDP1 (0.31) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2
SCHEMBL10485205 0.75 TSHR (0.33) F2PRSS1CA1CA2CES2
SCHEMBL28864576 0.75 CES2 (0.33) CYP1A2SLC6A4SLC6A3SLC6A2F2
SCHEMBL15859481 0.74 CA1 (0.32) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2
SCHEMBL7753185 0.74 CYP2D6 (0.30) SLC6A4SLC6A3CYP2D6SLC6A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226171-B1 FIBER COMPOSITE MITSUBISHI CHEM CORP (JP) 2019-04-10 EP disclosed
US-20110274908-A1 FIBER COMPOSITE MITSUBISHI CHEMICAL CORPORATION (JP) 2011-11-10 US disclosed
US-8012573-B2 Fiber composite MITSUBISHI CHEMICAL CORPORATION (JP) 2011-09-06 US disclosed
US-20100272980-A1 FIBER COMPOSITE MITSUBISHI CHEMICAL CORPORATION (JP) 2010-10-28 US disclosed
EP-2226171-A1 FIBER COMPOSITE Mitsubishi Chemical Corporation (JP) 2010-09-08 EP disclosed
US-5691442-A RADIATION TRANSPARENT POLYMERS WITH PHENOL ENDCAPPING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1997-11-25 US disclosed