SCHEMBL809820

SCHEMBL809820

C=Cc1ccc2cc3c(OC)c(CCl)ccc3cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
SLC2A1 P11166 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32

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
SCHEMBL808886 0.90 HTR2C (0.38) HTR2CTRPA1ALDH1A1GFERSLC2A1
SCHEMBL810545 0.84 HTR2C (0.39) HTR2CTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL809844 0.82 HTR2C (0.33) HTR2C
SCHEMBL809503 0.80 HTR2C (0.31) HTR2C
SCHEMBL810057 0.74 TP53 (0.34) HTR2CTRPA1ALDH1A1
SCHEMBL809905 0.74 HTR2C (0.39) HTR2CTRPA1TUBB4ATUBBTUBA3C
SCHEMBL810580 0.72 ALDH1A1 (0.32) HTR2CALDH1A1
SCHEMBL810242 0.71 TRPA1 (0.56) TRPA1ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL3618006 0.71 CYP1A2 (0.50) HTR2CTRPA1ALDH1A1TUBB4ATUBB
SCHEMBL3627666 0.71 CYP1A2 (0.50) HTR2CTRPA1ALDH1A1TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed