SCHEMBL4929248

SCHEMBL4929248

O=C(O)C(=O)C(C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ABCB11 O95342 1/20 0.33
F2 P00734 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C19 P33261 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 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
SCHEMBL29124109 0.84 LDHA (0.33) ALDH1A1LMNATSHRTHRBRECQL
SCHEMBL27510589 0.83 TSHR (0.30) ALDH1A1LMNATSHRTHRBRECQL
SCHEMBL11697008 0.74 TGFBR1 (0.33) TDP1
SCHEMBL445370 0.74 ALDH1A1 (0.46) ALDH1A1LMNATSHRTHRBRECQL
SCHEMBL543507 0.72 FFAR3 (0.38) LMNATP53
SCHEMBL17818666 0.70 ALDH1A1 (0.43) ALDH1A1LMNATSHRTHRBRECQL
SCHEMBL27535153 0.70 ALDH1A1 (0.43) ALDH1A1LMNATSHRTHRBRECQL
SCHEMBL27619732 0.69 FFAR3 (0.35)
SCHEMBL27753462 0.69 FFAR3 (0.35)
SCHEMBL27285146 0.69 FFAR3 (0.35)

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-105646081-B Liquid compound fertilizer, preparation method and application thereof 河南省农业科学院植物营养与资源环境研究所 2020-04-17 CN claimed
US-20080063620-A1 Novel reverse thermo-sensitive block copolymers YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM 2008-03-13 US claimed
US-20030082235-A1 Novel reverse thermo-sensitive block copolymers YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM 2003-05-01 US claimed
CN-105646081-B Liquid compound fertilizer, preparation method and application thereof 河南省农业科学院植物营养与资源环境研究所 2020-04-17 CN disclosed
CN-106430643-A Environment-friendly corrosion and scale inhibitor 广西大学 2017-02-22 CN disclosed