SCHEMBL9515523

SCHEMBL9515523

CCOC(=O)C1(C(=O)OCC)CCOCCOCCOCCOCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.41
ALDH1A1 P00352 5/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL9515002 1.00 TSHR (0.48) TSHRGAAALDH1A1RECQLRAB9A
SCHEMBL942419 0.98 TSHR (0.46) TSHRGAAALDH1A1RECQLRAB9A
SCHEMBL6687683 0.96 TSHR (0.44) TSHRGAAALDH1A1RECQLRAB9A
SCHEMBL11242645 0.90 ATM (0.40) TSHRGAAALDH1A1RECQLRAB9A
SCHEMBL5363175 0.89 TSHR (0.42) TSHRGAAALDH1A1RECQLRAB9A
Dioxane SCHEMBL6091078 0.89 TSHR (0.46) TSHRGAAALDH1A1RECQLRAB9A
SCHEMBL3603184 0.87 TSHR (0.41) TSHRGAAALDH1A1RECQLRAB9A
SCHEMBL9009631 0.85 CYP2C19 (0.37) TSHRGAAALDH1A1RECQLRAB9A
SCHEMBL18134201 0.83 ALDH1A1 (0.46) GAAALDH1A1LMNAPOLBMAPT
SCHEMBL69496 0.83 ALDH1A1 (0.46) GAAALDH1A1LMNAPOLBMAPT

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