Ethyl Chloride

Ethyl Chloride

SCHEMBL11583259

CCCl.CCN(CC)CC(O)C(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL11583186 0.95 ALDH1A1 (0.50) ALDH1A1KDM4EHDAC1HDAC6HDAC3
SCHEMBL11582373 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EHDAC1HDAC6HDAC3
SCHEMBL6062140 0.78 LMNA (0.49) ALDH1A1MAPTTSHRRAB9ANPC1
Hydrochloric Acid SCHEMBL10730163 0.77 LMNA (0.50) ALDH1A1MAPTTSHRRAB9ANPC1
SCHEMBL14830566 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EHDAC1HDAC6HDAC3
Iodomethane SCHEMBL11581375 0.76 LMNA (0.47) ALDH1A1MAPTTSHRRAB9ANPC1
SCHEMBL11583609 0.75 LMNA (0.46) ALDH1A1MAPTTSHRRAB9ANPC1
SCHEMBL11230342 0.72 ALDH1A1 (0.51) ALDH1A1KDM4EHDAC1HDAC6HDAC3
SCHEMBL9885857 0.70 ALDH1A1 (0.61) ALDH1A1KDM4EHDAC1HDAC6HDAC3
Hydrochloric Acid SCHEMBL6552884 0.70 LMNA (0.49) ALDH1A1KDM4EHDAC1HDAC6HDAC3

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-4069309-A CATIONIC P-AMINOBENZOATE ESTERS OF SUBSTITUTED AMINO ALKANOLS AVON PRODUCTS, INC. (US) 1978-01-17 US disclosed