SCHEMBL2585784

SCHEMBL2585784

CCCCC(CC)COC(=O)c1cc(C(=O)O)cc(Cc2ccccc2)c1C(=O)OCC(CC)CCCC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
CYP3A4 P08684 4/20 0.59
CA2 P00918 1/20 0.59
TSHR P16473 5/20 0.56
MAPK1 P28482 4/20 0.56
LMNA P02545 3/20 0.55
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 4/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
THRA P10827 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL2455799 0.85 ALDH1A1 (0.67) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL4894208 0.84 TSHR (0.54) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL4582456 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL2455803 0.82 ALDH1A1 (0.66) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL28374845 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL2583354 0.79 ALDH1A1 (0.61) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL828867 0.78 ALDH1A1 (0.85) ALDH1A1CYP3A4CA2TSHRMAPK1
Benzoic Acid SCHEMBL15942086 0.78 ALDH1A1 (0.84) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL29049269 0.77 ALDH1A1 (0.71) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL27716219 0.77 ALDH1A1 (0.71) ALDH1A1CYP3A4CA2TSHRMAPK1

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