SCHEMBL6917155

SCHEMBL6917155

NC(=O)C(=O)OCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
TSHR P16473 3/20 0.44
IDO1 P14902 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PYGL P06737 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
IGF1R P08069 1/20 0.42
ALOX15 P16050 1/20 0.42
SIGMAR1 Q99720 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CDK8 P49336 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL11716776 0.87 PNMT (0.52) PNMTTAAR1TSHRIDO1SMN1; SMN2
SCHEMBL29749412 0.80 TSHR (0.50) PNMTTAAR1TSHRIDO1SMN1; SMN2
SCHEMBL28326627 0.77 FFAR1 (0.52) PNMTTAAR1TSHRSMN1; SMN2PYGL
SCHEMBL3393678 0.74 PYGL (0.57) PNMTTAAR1TSHRIDO1PYGL
SCHEMBL7698349 0.74 NPC1 (0.60) TSHRSMN1; SMN2FFAR1
SCHEMBL27820637 0.73 CYP3A4 (0.49) PNMTTAAR1TSHRSMN1; SMN2ALOX15
SCHEMBL6078543 0.73 IGF1R (0.56) PNMTTAAR1TSHRIDO1PYGL
SCHEMBL20524098 0.73 IDO1 (0.58) PNMTTAAR1TSHRIDO1SMN1; SMN2
SCHEMBL4741469 0.72 FFAR1 (0.49) PNMTTAAR1TSHRIDO1SMN1; SMN2
SCHEMBL3661748 0.72 IDO1 (0.42) PNMTTAAR1TSHRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed