SCHEMBL2585780

SCHEMBL2585780

CCCCC(CC)COC(=O)c1ccc(C(=O)OCc2ccccc2)cc1C(=O)OCC(CC)CCCC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.80
MAPK1 P28482 3/20 0.80
TSHR P16473 3/20 0.80
CYP3A4 P08684 4/20 0.66
CA2 P00918 1/20 0.66
PRSS1 P07477 1/20 0.60
PRSS2 P07478 1/20 0.60
PRSS3 P35030 1/20 0.60
LMNA P02545 5/20 0.58
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL28663380 0.96 ALDH1A1 (0.73) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL27716219 0.91 ALDH1A1 (0.71) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL29049269 0.91 ALDH1A1 (0.71) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL1373886 0.90 ALDH1A1 (0.82) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL34167 0.90 TSHR (1.00) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL29351184 0.90 TSHR (1.00) ALDH1A1MAPK1TSHRCYP3A4CA2
Benzoic Acid SCHEMBL15942086 0.89 ALDH1A1 (0.84) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL18969816 0.89 ALDH1A1 (0.61) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL26190010 0.89 ALDH1A1 (0.97) ALDH1A1MAPK1TSHRCYP3A4CA2
SCHEMBL22440166 0.86 ALDH1A1 (0.88) ALDH1A1MAPK1TSHRCYP3A4CA2

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