SCHEMBL5685388

SCHEMBL5685388

CCc1ccc(C=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.42
PTGER4 P35408 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A3 P47895 4/20 0.41
ALDH3A1 P30838 3/20 0.41
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2A6 P11509 1/20 0.38
FDPS P14324 1/20 0.38
KIF11 P52732 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL12319652 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDPTGER4MEN1
SCHEMBL27817833 0.83 TYR (0.43) ALDH1A1SMN1; SMN2HPGDPTGER4MEN1
SCHEMBL3035961 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDPTGER4MEN1
SCHEMBL29953151 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDPTGER4MEN1
SCHEMBL14329424 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDPTGER4MEN1
SCHEMBL10381564 0.82 ALDH1A1 (0.39) ALDH1A1TDP1LMNAMAPT
SCHEMBL16960283 0.82 TRPA1 (0.36) MEN1KMT2ALMNAMAPT
SCHEMBL22339079 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDPTGER4MEN1
SCHEMBL30021567 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDPTGER4MEN1
SCHEMBL27453852 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDPTGER4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640360-A1 AMIDES AND METHOD FOR PLANT DISEASE CONTROL WITH THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 EP disclosed
CN-1206396-A Synthetic method of curcumin-related compound GENEPRINT INC (US) 1999-01-27 CN disclosed