SCHEMBL9565754

SCHEMBL9565754

C=C(CCOCCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
KEAP1 Q14145 1/20 0.46
FFAR1 O14842 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HDAC3 O15379 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL1573160 0.85 SMN1; SMN2 (0.47) TDP1SMN1; SMN2MAPK1ALDH1A1SLC6A3
SCHEMBL10912742 0.84 FFAR4 (0.47) TDP1KEAP1FFAR1SMN1; SMN2MAPK1
SCHEMBL466108 0.84 SMN1; SMN2 (0.49) TDP1SMN1; SMN2MAPK1ALDH1A1SLC6A3
SCHEMBL3764756 0.83 LMNA (0.50) TDP1FFAR1SMN1; SMN2MAPK1HDAC2
SCHEMBL3584403 0.82 KEAP1 (0.63) TDP1KEAP1FFAR1SMN1; SMN2MAPK1
SCHEMBL30529 0.81 KEAP1 (0.61) TDP1KEAP1FFAR1SMN1; SMN2MAPK1
SCHEMBL9436946 0.79 TET2 (0.37) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL3594705 0.79 TDP1 (0.52) TDP1KEAP1FFAR1SMN1; SMN2MAPK1
SCHEMBL3820690 0.79 TDP1 (0.52) TDP1KEAP1FFAR1SMN1; SMN2MAPK1
SCHEMBL4666437 0.78 HDAC1 (0.64) TDP1KEAP1FFAR1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572900-A2 Coating and its use in a process for preparing multilayer coatings Herberts Gesellschaft mit beschränkter Haftung (DE) 1993-12-08 EP disclosed
EP-0093854-B1 HIGHLY TRANSPARENT IMPACT-RESISTANT POLYVINYL CHLORIDE-BASED MOULDING MASSES HÜLS AKTIENGESELLSCHAFT (DE) 1986-08-13 EP disclosed
EP-0093855-B1 POLYMERS OF A PHENYL ALKYL ESTER OF ACRYLIC ACID, THEIR PREPARATION AND THEIR USE HÜLS AKTIENGESELLSCHAFT (DE) 1986-01-22 EP disclosed
EP-0093854-A2 Highly transparent impact-resistant polyvinyl chloride-based moulding masses HÜLS AKTIENGESELLSCHAFT (DE) 1983-11-16 EP disclosed
EP-0093855-A1 Polymers of a phenyl alkyl ester of acrylic acid, their preparation and their use HÜLS AKTIENGESELLSCHAFT (DE) 1983-11-16 EP disclosed
EP-0093856-A1 Phenyl-substituted acrylic-acid esters and their utilisation HÜLS AKTIENGESELLSCHAFT (DE) 1983-11-16 EP disclosed