SCHEMBL11740799

SCHEMBL11740799

CC(C)CC(NC(=O)C(Cl)(Cl)Cl)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.53
GRN P28799 3/20 0.52
SORT1 Q99523 3/20 0.52
FOLH1 Q04609 7/20 0.50
LAP3 P28838 3/20 0.47
NAALAD2 Q9Y3Q0 2/20 0.46
PLA2G2A P14555 2/20 0.45
PLA2G5 P39877 2/20 0.45

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
SCHEMBL11740805 1.00 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL14436761 0.82 ALDH1A1 (0.62) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL19083736 0.82 ALDH1A1 (0.62) ALDH1A1LMNAMEN1KMT2AMAPT
Water SCHEMBL6544726 0.81 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1535086 0.81 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1535088 0.81 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL24668413 0.79 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL13592802 0.79 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL29539002 0.79 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL15302480 0.77 ALDH1A1 (0.72) ALDH1A1LMNAMEN1KMT2AMAPT

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-4055663-A Halogenated acylamino acids as fungicides NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-10-25 US disclosed