SCHEMBL19183181

SCHEMBL19183181

CCOC(=O)CCC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CTSK P43235 2/20 0.40
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
CA14 Q9ULX7 1/20 0.36
CA1 P00915 2/20 0.36

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
SCHEMBL1695195 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL1936376 0.86 ALDH1A1 (0.52) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL15561375 0.86 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL17871111 0.85 TSHR (0.46) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL15561338 0.84 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL1784924 0.81 CTSK (0.51) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL4578241 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL3686909 0.81 TDP1 (0.44) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL21582671 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL15561339 0.81 CA12 (0.41) MEN1KMT2AALDH1A1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010772-A Salt compound of 5-aminolevulinic acid and derivative thereof and application 赵鸣 2020-12-01 CN disclosed
EP-3408254-B1 SALTS OF 5-AMINOLEVULINIC ACID AND DERIVATIVES ZHAO MING (US) 2020-11-04 EP disclosed
US-10653653-B2 Salts of 5-aminolevulinic acid and derivatives ZHAO MING (US) 2020-05-19 US disclosed
EP-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP disclosed
CN-109369433-A A kind of 5-ALA derivative, synthetic method and the application of F-18 label 庄晓青 2019-02-22 CN disclosed
US-20190022044-A1 SALTS OF 5-AMINOLEVULINIC ACID AND DERIVATIVES ZHAO MING (US) 2019-01-24 US disclosed
EP-3408254-A2 SALTS OF 5-AMINOLEVULINIC ACID AND DERIVATIVES Zhao, Ming (US) 2018-12-05 EP disclosed
WO-2017132178-A2 SALTS OF 5-AMINOLEVULINIC ACID AND DERIVATIVES ZHAO MING (US) 2017-08-03 WO disclosed
CN-106187793-A Salt compound of 5-aminolevulinic acid and derivative thereof and application 赵鸣 2016-12-07 CN disclosed