SCHEMBL10698807

SCHEMBL10698807

CCOC(Br)=CC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
ALDH1A1 P00352 4/20 0.36
TRPA1 O75762 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC4 P56524 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
GLO1 Q04760 1/20 0.31
CYP1A2 P05177 1/20 0.31
CES2 O00748 1/20 0.31

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
SCHEMBL1013378 0.79 ALDH1A1 (0.39) MAPTALDH1A1TRPA1NPSR1LMNA
SCHEMBL28334666 0.78 ALDH1A1 (0.41) MAPTALDH1A1TRPA1NPSR1LMNA
SCHEMBL25738552 0.78 ALDH1A1 (0.41) MAPTALDH1A1TRPA1NPSR1LMNA
SCHEMBL25142327 0.78 HCAR2 (0.38) MAPTALDH1A1TRPA1NPSR1LMNA
SCHEMBL239788 0.76 ALOX15 (0.43) MAPTALDH1A1TRPA1NPSR1LMNA
SCHEMBL239789 0.76 ALOX15 (0.43) MAPTALDH1A1TRPA1NPSR1LMNA
SCHEMBL17051117 0.76 ALOX15 (0.43) MAPTALDH1A1TRPA1NPSR1LMNA
SCHEMBL5467247 0.73 ALDH1A1 (0.33) MAPTALDH1A1NPSR1LMNAHSD17B10
SCHEMBL5467251 0.73 ALDH1A1 (0.33) MAPTALDH1A1NPSR1LMNAHSD17B10
SCHEMBL28682597 0.69 HCAR2 (0.57) MAPTALDH1A1NPSR1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290904-A1 1-Aryl-3-halogenoalkyl-4-halogene pyrazols BAYER AG (DE) 1988-11-17 EP disclosed