SCHEMBL21647243

SCHEMBL21647243

CC(=CC(=O)O)NCCO

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 3/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
FAAH O00519 1/20 0.35
KCNK3 O14649 1/20 0.35
CNR2 P34972 1/20 0.35
BLM P54132 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 2/20 0.33
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 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
SCHEMBL17858888 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL29308972 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL28792604 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL2278166 0.82 MMP1 (0.40) ALDH1A1KMT2ACNR1KDM4ETSHR
SCHEMBL9179050 0.78 EPHX1 (0.47) CNR1
SCHEMBL5174609 0.78 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL12490812 0.78 EPHX1 (0.47) CNR1
SCHEMBL17858890 0.78 SMN1; SMN2 (0.38) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL9434817 0.77 EPHX1 (0.52) FAAH
SCHEMBL490025 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112334553-B Polyurethane composition with long processing time and high strength SIKA技术股份公司 2022-05-17 CN disclosed
EP-3830203-A1 POLYURETHANE COMPOSITION HAVING A LONG POT LIFE AND HIGH STRENGTH SIKA TECHNOLOGY AG (CH) 2021-06-09 EP disclosed
CN-112334553-A Polyurethane composition with long processing time and high strength SIKA技术股份公司 2021-02-05 CN disclosed
WO-2020025422-A1 POLYURETHANE COMPOSITION HAVING A LONG POT LIFE AND HIGH STRENGTH SIKA TECHNOLOGY AG (CH) 2020-02-06 WO disclosed