SCHEMBL809905

SCHEMBL809905

C=Cc1ccc2c(OC(C)=O)c(CCl)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
ABCB11 O95342 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
TTR P02766 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33

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
SCHEMBL810545 0.91 HTR2C (0.39) HTR2CABCB11KDM4EMEN1KMT2A
SCHEMBL808886 0.82 HTR2C (0.38) HTR2CTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9711247 0.80 HTR2C (0.36) HTR2CABCB11KDM4EMEN1KMT2A
SCHEMBL809846 0.78 TRPA1 (0.41) KDM4EMEN1KMT2ALMNATP53
SCHEMBL809843 0.75 AKR1C3 (0.48) KDM4EMEN1KMT2ALMNATP53
SCHEMBL810057 0.75 TP53 (0.34) HTR2CKMT2ATP53TRPA1
SCHEMBL73854 0.74 KDM4E (0.56) HTR2CKDM4EMEN1KMT2ALMNA
SCHEMBL809820 0.74 HTR2C (0.38) HTR2CTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21180822 0.74 ALOX5 (0.43) KDM4EMEN1KMT2ALMNATP53
SCHEMBL810580 0.73 ALDH1A1 (0.32) HTR2C

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