SCHEMBL9514872

SCHEMBL9514872

O=C(O)C(Cc1ccc2c(c1)OCCOCCOCCOCCOCCO2)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7307051 0.85 CYP3A4 (0.63) NPSR1SMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL9514948 0.83 MAPT (0.47) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3359174 0.83 KDM6B (0.54) KDM4ERAB9ANPC1SMN1; SMN2PTGS1
SCHEMBL3350932 0.83 KDM6B (0.54) KDM4ERAB9ANPC1SMN1; SMN2PTGS1
SCHEMBL3350938 0.83 KDM6B (0.54) KDM4ERAB9ANPC1SMN1; SMN2PTGS1
SCHEMBL1744966 0.81 SLC7A5 (0.55) KDM4ERAB9ANPC1SMN1; SMN2PTGS1
SCHEMBL3788967 0.81 SLC7A5 (0.55) KDM4ERAB9ANPC1SMN1; SMN2PTGS1
SCHEMBL6048038 0.79 RAB9A (0.46) KDM4EMAPTNPSR1RAB9ANPC1
SCHEMBL10597096 0.78 ALDH1A1 (0.74) KDM4EMAPTNPSR1RAB9ANPC1
SCHEMBL25355819 0.78 CYP2D6 (0.51) KDM4EMAPTRAB9ANPC1SMN1; SMN2

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