SCHEMBL9514922

SCHEMBL9514922

O=C(O)C(CCOCCOCCOCc1ccccc1)(CCOCCOCCOCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NAAA Q02083 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CA1 P00915 1/20 0.40

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
SCHEMBL7821115 0.85 L3MBTL1 (0.48) TSHRSMN1; SMN2HTTL3MBTL1TDP1
SCHEMBL10868290 0.81 TDP1 (0.41) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL9116753 0.81 TSHR (0.48) TSHRSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL22261726 0.80 FFAR1 (0.43) TSHRSMN1; SMN2NAAALMNAHTT
SCHEMBL6483355 0.79 MMP8 (0.46) TSHRSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL11120603 0.79 PPARA (0.49) TSHRSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL16391273 0.79 TSHR (0.47) TSHRSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL4608747 0.79 TSHR (0.74) TSHRSMN1; SMN2NAAALMNAHTT
SCHEMBL9505432 0.79 TSHR (0.74) TSHRSMN1; SMN2NAAALMNAHTT
SCHEMBL10895400 0.79 TSHR (0.74) TSHRSMN1; SMN2NAAALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341409-B1 Platinum (II) complexes, their preparation and use as antitumour agents BOEHRINGER MANNHEIM ITALIA (IT) 1993-12-29 EP disclosed
EP-0415939-A1 PLATINUM(II) COMPLEXES, THEIR PREPARATION AND USE AS ANTI-TUMOUR AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-03-13 EP disclosed
EP-0341409-A1 Platinum (II) complexes, their preparation and use as antitumour agents BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1989-11-15 EP disclosed
WO-1989009218-A1 PLATINUM(II) COMPLEXES, THEIR PREPARATION AND USE AS ANTI-TUMOUR AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-10-05 WO disclosed