SCHEMBL9516593

SCHEMBL9516593

O=C(O)C(CCOCCOCCOCCOCCC(C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HSD17B10 Q99714 2/20 0.37
ENPEP Q07075 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
HIF1A Q16665 2/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL9800586 0.88 NOS3 (0.37) NOS3NOS1NOS2HSD17B10ENPEP
SCHEMBL839886 0.88 NOS3 (0.37) NOS3NOS1NOS2HSD17B10ENPEP
SCHEMBL28988515 0.84 NOS3 (0.35) NOS3NOS1NOS2HSD17B10BLM
SCHEMBL29050838 0.82 CHRM1 (0.37) NOS3NOS1NOS2HSD17B10CHRM1
SCHEMBL3328503 0.81 ALDH1A1 (0.44) NOS3NOS1NOS2ENPEPALDH1A1
SCHEMBL9396104 0.81 NOS3 (0.43) NOS3NOS1NOS2ALDH1A1KMT2A
SCHEMBL6133300 0.76 ALDH1A1 (0.50) NOS3NOS1NOS2HSD17B10ALDH1A1
SCHEMBL16443443 0.76 FOLH1 (0.52) NOS3NOS1NOS2HSD17B10ENPEP
SCHEMBL2634911 0.74 ALDH1A1 (0.41) ENPEPALDH1A1TSHRCHRM1AKR1A1
SCHEMBL30442680 0.74 TET2 (0.52) NOS3NOS1NOS2KMT2AMEN1

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