SCHEMBL27859986

SCHEMBL27859986

COC(=O)C(Cl)(Cl)CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.39
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
EGLN1 Q9GZT9 5/20 0.33
LMNA P02545 3/20 0.33
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
ESR2 Q92731 1/20 0.32
KCNN4 O15554 1/20 0.32

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
SCHEMBL2118005 0.83 TSHR (0.50) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL8625732 0.82 LMNA (0.36) TSHRNAALAD2ALDH1A1MEN1CYP1A2
Water SCHEMBL2122433 0.81 TSHR (0.48) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL10978109 0.79 TSHR (0.38) TSHRNAALAD2ALDH1A1MEN1CYP1A2
SCHEMBL161711 0.76 NAALAD2 (0.45) TSHRNAALAD2ALDH1A1MEN1CYP1A2
SCHEMBL28883851 0.75 TSHR (0.54) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL11056460 0.74 TSHR (0.40) TSHRNAALAD2ALDH1A1MEN1CYP1A2
SCHEMBL7964223 0.74 NAALAD2 (0.44) TSHRNAALAD2ALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL9429165 0.74 NAALAD2 (0.44) TSHRNAALAD2ALDH1A1MEN1CYP1A2
SCHEMBL2119588 0.74 ALDH1A1 (0.43) TSHRNAALAD2ALDH1A1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102976927-A Preparation method of calcium alpha-ketoglutarate TIANJIN TIANCHENG PHARMACEUTICAL CO LTD 2013-03-20 CN claimed
CN-102584568-A Process for preparation of alpha-ketoglutaric acid GUOJI ZHANG 2012-07-18 CN claimed
CN-102531968-A Process for preparation of l-arginine alpha-ketoglutarate 1:1 and 2:1 GUOJI ZHANG 2012-07-04 CN claimed
CN-104109698-A Enzymic method for producing [alpha]-ketoglutaric acid SHANGHAI RES AND DEV CT OF IND BIOTECHNOLOGY 2014-10-22 CN disclosed
CN-102976927-A Preparation method of calcium alpha-ketoglutarate TIANJIN TIANCHENG PHARMACEUTICAL CO LTD 2013-03-20 CN disclosed
CN-102584568-A Process for preparation of alpha-ketoglutaric acid GUOJI ZHANG 2012-07-18 CN disclosed
CN-102531968-A Process for preparation of l-arginine alpha-ketoglutarate 1:1 and 2:1 GUOJI ZHANG 2012-07-04 CN disclosed