SCHEMBL9800580

SCHEMBL9800580

O=C(O)C1(C(=O)O)CCOCCOCCOCCOCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TTR P02766 1/20 0.33
FFAR3 O14843 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL9516571 1.00 HSD17B10 (0.34) HSD17B10ALDH1A1TTRFFAR3SMN1; SMN2
SCHEMBL10851002 1.00 HSD17B10 (0.34) HSD17B10ALDH1A1TTRFFAR3SMN1; SMN2
SCHEMBL9516662 1.00 HSD17B10 (0.34) HSD17B10ALDH1A1TTRFFAR3SMN1; SMN2
SCHEMBL164230 0.97 ALDH1A1 (0.35) HSD17B10ALDH1A1FFAR3NPSR1LMNA
SCHEMBL10523246 0.94 ALDH1A1 (0.34) HSD17B10ALDH1A1FFAR3NPSR1LMNA
SCHEMBL9515524 0.82 THRB (0.37) ALDH1A1NPSR1LMNATSHRL3MBTL1
SCHEMBL31099417 0.81 FFAR3 (0.32) ALDH1A1FFAR3
SCHEMBL3303018 0.77 CYP2C19 (0.41) ALDH1A1FFAR3NPSR1LMNATSHR
SCHEMBL28523885 0.76 CYP2C19 (0.39) ALDH1A1FFAR3SMN1; SMN2NPSR1LMNA
SCHEMBL27967348 0.76 CYP2C19 (0.39) ALDH1A1FFAR3SMN1; SMN2NPSR1LMNA

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-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
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