SCHEMBL9684904

SCHEMBL9684904

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
PTGES O14684 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
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
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPOR P19235 1/20 0.40
CTSB P07858 2/20 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
SCHEMBL9684900 1.00 ALDH1A1 (0.47) ALDH1A1PTGESKMT2AMEN1LMNA
SCHEMBL20641024 0.87 KMT2A (0.46) ALDH1A1PTGESKMT2AMEN1LMNA
SCHEMBL10315705 0.87 KMT2A (0.46) ALDH1A1PTGESKMT2AMEN1LMNA
SCHEMBL10315707 0.87 KMT2A (0.46) ALDH1A1PTGESKMT2AMEN1LMNA
SCHEMBL9684597 0.85 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL9684603 0.85 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL6053231 0.83 MEN1 (0.47) ALDH1A1PTGESKMT2AMEN1LMNA
SCHEMBL9841014 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL26988864 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL9841010 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1LMNAL3MBTL1

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