SCHEMBL6653864

SCHEMBL6653864

CC(C)CCC(C)CCOS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL7618433 0.91 USP2 (0.55) ALDH1A1LMNAUSP2TSHRKDM4E
SCHEMBL15220027 0.88 LMNA (0.50) ALDH1A1LMNAUSP2TSHRKDM4E
SCHEMBL11913777 0.88 LMNA (0.50) ALDH1A1LMNAUSP2TSHRKDM4E
SCHEMBL3706344 0.86 ALDH1A1 (0.55) ALDH1A1LMNAUSP2TSHRKDM4E
SCHEMBL795742 0.80 USP2 (0.48) ALDH1A1LMNAUSP2TSHRKDM4E
SCHEMBL21272993 0.80 USP2 (0.48) ALDH1A1LMNAUSP2TSHRKDM4E
SCHEMBL5636350 0.80 USP2 (0.48) ALDH1A1LMNAUSP2TSHRKDM4E
SCHEMBL21272995 0.80 USP2 (0.48) ALDH1A1LMNAUSP2TSHRKDM4E
SCHEMBL8064670 0.80 USP2 (0.48) ALDH1A1LMNAUSP2TSHRKDM4E
SCHEMBL4082038 0.77 ALDH1A1 (0.64) ALDH1A1LMNAUSP2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423470-A2 ARTICLES CONTAINING THIOXANTHONE DYES 3M Innovative Properties Company (US) 2004-06-02 EP disclosed
WO-2003016406-A1 THIOXANTHONE DYES WITH IMPROVED SOLUBILITY 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-02-27 WO disclosed
WO-2003016391-A2 ARTICLES CONTAINING THIOXANTHONE DYES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-02-27 WO disclosed