SCHEMBL809950

SCHEMBL809950

C=Cc1ccc(F)c(CCl)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 0.32
HDAC8 Q9BY41 1/20 0.30
TSHR P16473 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
SCHEMBL5702943 0.84 ALDH1A1 (0.39) ALDH1A1TP53LMNAMAPTTDP1
SCHEMBL11073040 0.81 ALDH1A1 (0.43) ALDH1A1TP53MAPTTDP1TRPA1
SCHEMBL2679167 0.80 ALDH1A1 (0.42) ALDH1A1TDP1TSHR
SCHEMBL25673398 0.80 ALDH1A1 (0.39) ALDH1A1TP53LMNAMAPTTDP1
SCHEMBL810315 0.78 ALDH1A1 (0.40) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL809841 0.76 ALDH1A1 (0.39) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL809737 0.76 ALDH1A1 (0.39) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL19088810 0.76 ALDH1A1 (0.39) ALDH1A1TP53TDP1TRPA1TSHR
SCHEMBL809528 0.76 TP53 (0.41) ALDH1A1TP53MAPTTDP1TRPA1
SCHEMBL14760945 0.76 TRPA1 (0.47) ALDH1A1LMNAMAPTTRPA1

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