SCHEMBL28296690

SCHEMBL28296690

CCC(C)CC(O)COC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ENPP2 Q13822 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
LPAR1 Q92633 1/20 0.31
LPAR4 Q99677 1/20 0.31

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
SCHEMBL2228690 0.81
SCHEMBL1525696 0.81
Fluoride SCHEMBL28370581 0.79 MAPT (0.52) MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL28109920 0.78 TSHR (0.56) MAPTENPP2TRPV1ADRB2ADRB1
SCHEMBL1492508 0.75 SLC22A6 (0.38) ENPP2ADRB2ADRB1ADRB3MEN1
SCHEMBL24971050 0.73 ALDH1A1 (0.42) MAPTENPP2TRPV1MEN1KMT2A
SCHEMBL319704 0.73 MAPT (0.39) MAPTALDH1A1TP53
SCHEMBL4204085 0.72 SLC22A6 (0.52) MAPTLMNASMN1; SMN2
SCHEMBL25181478 0.72 SLC22A6 (0.52) MAPTLMNASMN1; SMN2
SCHEMBL4192199 0.72 SLC22A6 (0.52) MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790275-A Process for preparing multiple bond-containing prepolymers as elastomer precursors 科思创德国股份有限公司 2019-05-21 CN disclosed
CN-109790276-A The method for preparing elastomer 科思创德国股份有限公司 2019-05-21 CN disclosed