SCHEMBL9684603

SCHEMBL9684603

CC(F)C(C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
EPOR P19235 1/20 0.40
CTSB P07858 2/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL9684597 1.00 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL23027206 0.88 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL16847451 0.88 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL10315704 0.87 KMT2A (0.46) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL9684024 0.87 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL9684015 0.87 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL9684900 0.85 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL9684904 0.85 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL9841010 0.81 ALDH1A1 (0.53) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL9841014 0.81 ALDH1A1 (0.53) ALDH1A1LMNAL3MBTL1POLBHSD17B10

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
US-5096700-A Bactericides for dentifrices THE PROCTER & GAMBLE COMPANY (US) 1992-03-17 US disclosed