SCHEMBL8638932

SCHEMBL8638932

C=C(C)C(=O)OCC(O)CN(Cc1ccc(CN(CC(O)COCC(CC)CCCC)CC(O)COC(=O)C(=C)C)cc1)CC(O)COCC(CC)CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 4/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 6/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.34
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
RECQL P46063 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL8433034 1.00 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL8431714 0.92 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL8429179 0.92 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL8431139 0.86 TSHR (0.40) ALDH1A1MAPK1TSHRTDP1POLB
SCHEMBL8633848 0.86 TSHR (0.40) ALDH1A1MAPK1TSHRTDP1POLB
SCHEMBL8638937 0.85 POLB (0.34) ALDH1A1LMNATSHRPOLBCYP1A2
SCHEMBL8433037 0.85 POLB (0.34) ALDH1A1LMNATSHRPOLBCYP1A2
SCHEMBL11528548 0.84 TSHR (0.48) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL7021371 0.84 TSHR (0.45) ALDH1A1LMNAMAPK1TSHRTDP1
SCHEMBL7024456 0.80 TSHR (0.41) ALDH1A1LMNATSHRTDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811210-A PHOTOSENSITIVE LAYER AND SILICONE RUBBER LAYER LAMINATED IN ORDER ONTO A SUBSTRATE; PEEL BONDING STRENGTH AND ELASTIC MODULUS; FOR WEB OFFSET AND NEWSPAPER OFFSET PRINTING DURABILITY TORAY INDUSTRIES, INC. (JP) 1998-09-22 US disclosed
EP-0583860-B1 Dry planographic printing plate TORAY INDUSTRIES (JP) 1998-07-22 EP disclosed
EP-0672950-A1 WATERLESS LITHOGRAPHIC PLATE TORAY INDUSTRIES, INC. (JP) 1995-09-20 EP disclosed
US-5397681-A Laminate used for the production of a dry planographic printing plate TORAY INDUSTRIES, INC. (JP) 1995-03-14 US disclosed
EP-0583860-A2 Dry planographic printing plate TORAY INDUSTRIES, INC. (JP) 1994-02-23 EP disclosed