SCHEMBL11201642

SCHEMBL11201642

NC(=O)C(O)CC(=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PLAU P00749 2/20 0.47
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
PRSS1 P07477 1/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
HDAC1 Q13547 2/20 0.46

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
SCHEMBL14577821 0.80 ADRB2 (0.52) PTPN1SMN1; SMN2KDM4EHPGDCES2
SCHEMBL5106153 0.79 NPC1 (0.51) PTPN1SMN1; SMN2KDM4EHPGDCES2
SCHEMBL19844060 0.78 PTPN1 (0.53) PTPN1SMN1; SMN2KDM4EHPGDCES2
SCHEMBL4109577 0.78 PTPN1 (0.61) PTPN1SMN1; SMN2KDM4EHPGDCES2
SCHEMBL30848609 0.78 PTPN1 (0.61) PTPN1SMN1; SMN2KDM4EHPGDCES2
SCHEMBL7183359 0.77 PTPN1 (0.44) PTPN1SMN1; SMN2KDM4EHPGDCES2
SCHEMBL5899479 0.75 PTPN1 (0.67) PTPN1SMN1; SMN2KDM4EHPGDCES2
SCHEMBL1974978 0.75 PTPN1 (0.71) PTPN1SMN1; SMN2KDM4EHPGDCES2
SCHEMBL29489791 0.75 PTPN1 (0.71) PTPN1SMN1; SMN2KDM4EHPGDCES2
SCHEMBL194860 0.74 PTPN1 (0.56) PTPN1SMN1; SMN2KDM4EHPGDCES2

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-0084890-A1 Diazotype heat development recording medium Toppan Printing Co., Ltd. (JP) 1983-08-03 EP disclosed