SCHEMBL9019331

SCHEMBL9019331

CC(=O)C1C(=O)CCOC1=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
TLR4 O00206 3/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5924227 0.80
SCHEMBL1743259 0.73 TLR4 (0.32) ALDH1A1TSHRTLR4KDM4E
SCHEMBL7634600 0.72
SCHEMBL5915565 0.71 SMN1; SMN2 (0.43) TP53KDM4E
SCHEMBL9219255 0.69 CA1 (0.44) ALDH1A1KDM4E
SCHEMBL170644 0.69 CA1 (0.39) ALDH1A1
SCHEMBL940638 0.68 ALDH1A1 (0.39) ALDH1A1LMNATP53TSHR
SCHEMBL22587457 0.68
SCHEMBL26922 0.68
SCHEMBL13827000 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457921-B1 NOVEL PLATINUM (II) COMPLEX AND DRUG FOR TREATING MALIGNANT TUMOR TORAY INDUSTRIES (JP) 1996-10-09 EP disclosed
US-5302587-A Platinum (II) complex and agent for treating malignant tumor TORAY INDUSTRIES, INC. (JP) 1994-04-12 US disclosed
EP-0457921-A1 NOVEL PLATINUM (II) COMPLEX AND DRUG FOR TREATING MALIGNANT TUMOR TORAY INDUSTRIES, INC. (JP) 1991-11-27 EP disclosed
US-4980347-A NONTOXIC TORAY INDUSTRIES (JP) 1990-12-25 US disclosed
EP-0337459-A2 Platinum complex, process for preparing same and antitumor agent TORAY INDUSTRIES, INC. (JP) 1989-10-18 EP disclosed