SCHEMBL2583354

SCHEMBL2583354

CCCCC(CC)COC(=O)c1c(Cc2ccccc2)c(C(=O)O)c(C(=O)O)c(Cc2ccccc2)c1C(=O)OCC(CC)CCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
CYP3A4 P08684 4/20 0.61
CA2 P00918 1/20 0.61
LMNA P02545 3/20 0.56
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
MAPK1 P28482 4/20 0.49
TSHR P16473 4/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 3/20 0.44
ATM Q13315 1/20 0.44
RECQL P46063 1/20 0.38
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4582456 0.88 ALDH1A1 (0.61) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL25280291 0.82 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL2455803 0.82 ALDH1A1 (0.66) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4581810 0.81 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL2455799 0.81 ALDH1A1 (0.67) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL6053903 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL2585784 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30825765 0.78 ALDH1A1 (0.76) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL79515 0.78 ALDH1A1 (0.76) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL21114418 0.77 ALDH1A1 (0.89) ALDH1A1CYP3A4CA2LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220195179-A1 METHOD FOR IMPROVING ALKALINE SOLUTION RESISTANCE OF THERMOPLASTIC RESINS POLYPLASTICS CO., LTD. (JP) 2022-06-23 US disclosed
US-8052830-B2 Resin composition for laser welding and molded article WINTECH POLYMER LTD. (JP) 2011-11-08 US disclosed
US-20070129475-A1 Resin composition for laser welding and molded article POLYPLASTICS CO., LTD. (JP) 2007-06-07 US disclosed