SCHEMBL810043

SCHEMBL810043

C=Cc1cc(CCl)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
IDO1 P14902 3/20 0.34
TTR P02766 2/20 0.34
TSHR P16473 1/20 0.32
PNMT P11086 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
SIRT2 Q8IXJ6 1/20 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
SCHEMBL809726 0.83 ALDH1A1 (0.45) ALDH1A1IDO1TTRPNMTTAAR1
SCHEMBL17012159 0.82 ALDH1A1 (0.43) ALDH1A1IDO1TTRPNMTTAAR1
SCHEMBL320706 0.82 ALDH1A1 (0.43) ALDH1A1IDO1TSHRPNMTTAAR1
SCHEMBL810147 0.78 KDM4E (0.33) ALDH1A1TTR
SCHEMBL25370273 0.77 ALDH1A1 (0.39) ALDH1A1IDO1
SCHEMBL1264548 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL30595108 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14760953 0.73 XDH (0.42) ALDH1A1TTR
SCHEMBL15524544 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL809404 0.73 KDM4E (0.36) ALDH1A1TTR

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