SCHEMBL4004528

SCHEMBL4004528

COC(=O)CCCP(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
TYMS P04818 1/20 0.48
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 1/20 0.43
BBOX1 O75936 2/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Butane SCHEMBL2237287 0.94 TSHR (0.54) TSHRTYMSALDH1A1LPAR3LPAR2
SCHEMBL1052745 0.91 TSHR (0.56) TSHRTYMSLMNAALDH1A1LPAR3
SCHEMBL23829725 0.86 TSHR (0.57) TSHRTYMSLMNAALDH1A1MEN1
SCHEMBL17673038 0.85 LPAR3 (0.64) TSHRLPAR3LPAR2
Butane SCHEMBL2236998 0.80 TSHR (0.50) TSHRLMNALPAR3LPAR2MEN1
SCHEMBL2238566 0.80 TSHR (0.58) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL6037143 0.79 TYMS (0.50) TYMSLMNAALDH1A1LPAR3LPAR2
SCHEMBL27901245 0.78 TSHR (0.56) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL27789899 0.78 CYP1A2 (0.55) TSHRTYMSALDH1A1LPAR3LPAR2
SCHEMBL28676723 0.78 TSHR (0.48) TSHRLMNAALDH1A1LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116926029-A NADH dependent type L-glufosinate dehydrogenase mutant, construction method and application thereof in preparation of L-glufosinate by enzymatic method 湖南麦肯伟科技有限公司 2023-10-24 CN disclosed
CN-105576279-B Lithium secondary battery 麦克赛尔控股株式会社 2020-05-12 CN disclosed
US-7501373-B1 Polymerization catalyst for polyester production, polyester, and process for producing polyester TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-03-10 US disclosed
EP-1153953-B1 POLYMERIZATION CATALYST FOR POLYESTER PRODUCTION, POLYESTER, AND PROCESS FOR PRODUCING POLYESTER TOYO BOSEKI (JP) 2008-11-05 EP disclosed
EP-1153953-A1 POLYMERIZATION CATALYST FOR POLYESTER PRODUCTION, POLYESTER, AND PROCESS FOR PRODUCING POLYESTER Toyo Boseki Kabushiki Kaisha (JP) 2001-11-14 EP disclosed