SCHEMBL10697891

SCHEMBL10697891

O=C(O)CCCc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CYP1A2 P05177 2/20 0.46
TTR P02766 1/20 0.45
ACLY P53396 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL9244332 0.86 MAPT (0.47) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL2415959 0.81 HSD17B10 (0.50) SMN1; SMN2MAPK1ADRA1ACYP1A2TTR
SCHEMBL19857034 0.80 HDAC3 (0.55) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL1694247 0.79 TRPV1 (0.57) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL6353317 0.78 HDAC3 (0.57) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL9861837 0.77 HDAC3 (0.52) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL1206210 0.77 ACLY (0.48) ACLYFFAR1
SCHEMBL7885118 0.76 HSD17B10 (0.55) SMN1; SMN2MAPK1ADRA1ASLC6A3CYP1A2
SCHEMBL5801817 0.75 CA2 (0.62) TTRHSD17B10MAPTALDH1A1LMNA
SCHEMBL29126680 0.75 CYP1A2 (0.53) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260829-A2 Antibodies reactive with chlorinated phenols and methods of preparing and using same WESTINGHOUSE ELECTRIC CORPORATION (US) 1988-03-23 EP disclosed