SCHEMBL7869596

SCHEMBL7869596

CCCCOC(=O)/C(=C/C(Cl)(Cl)Cl)CCl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 4/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 3/20 0.39
ACHE P22303 7/20 0.35
NAAA Q02083 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
ESR1 P03372 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL7869599 1.00 ATM (0.43) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL7861414 0.79 ALDH1A1 (0.48) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL2415369 0.79 ALDH1A1 (0.48) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL5278785 0.79 ATM (0.46) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL5278788 0.79 ATM (0.46) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL7868942 0.73 ALDH1A1 (0.46) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL7866294 0.73 ALDH1A1 (0.46) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL11590194 0.71 ALDH1A1 (0.47) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL5501929 0.71 ALDH1A1 (0.67) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL137155 0.71 ALDH1A1 (0.67) ATMALDH1A1TSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310237-B1 REACTIONS OF ALPHA-UNSATURATED CARBOXY ACIDS, ESTERS, AMIDES OR THIOESTERS WITH OF 1.) A LEWIS ACID OR BASE OR 2.) HYDROGEN AND TRANSITION METALS OR THEIR OXIDES, OR 3.) ALKYL ALUMINUMS, ALKYL HYDRIDES, SOLUBLE NICKEL OR PALLADIUM SALTS UNIROYAL CHEMICAL COMPANY, INC. 2001-10-30 US disclosed
EP-1124786-A1 PROCESS FOR THE PREPARATION AND USES OF DERIVATIVES OF ESTERS OF ALPHA-METHYLENE- BETA-HYDROXY ACIDS Uniroyal Chemical Company, Inc. (US) 2001-08-22 EP disclosed
US-6147251-A PREPARATION OF DERIVATIVES OF HALO-BUT-2-ENOIC ACIDS AND ESTERS HIGH IN 2-ENE CONTENT; CATALYST PROMOTERS IN ETHYLENE POLYMERIZATION AND COPOLYMERIZATION UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-11-14 US disclosed
WO-2000027793-A1 PROCESS FOR THE PREPARATION AND USES OF DERIVATIVES OF ESTERS OF ALPHA- METHYLENE- BETA- HYDROXY ACIDS UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-05-18 WO disclosed