SCHEMBL808789

SCHEMBL808789

CS(=O)(=O)OCCCCCCCC=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
KDM4E B2RXH2 1/20 0.65
USP2 O75604 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
MMP9 P14780 1/20 0.65
ALOX15 P16050 1/20 0.65
FAAH O00519 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
CA1 P00915 13/20 0.39
CA2 P00918 13/20 0.39
CA9 Q16790 12/20 0.39
CA12 O43570 5/20 0.39
CA7 P43166 5/20 0.39
CA14 Q9ULX7 5/20 0.39
CA3 P07451 4/20 0.39
CA4 P22748 4/20 0.39
CA6 P23280 4/20 0.39
CA5A P35218 4/20 0.39
CA5B Q9Y2D0 4/20 0.39

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
SCHEMBL8813122 1.00 TSHR (0.65) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL808518 1.00 TSHR (0.65) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL8812258 1.00 TSHR (0.65) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL808498 1.00 TSHR (0.65) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL808702 1.00 TSHR (0.65) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL27788664 0.98 TSHR (0.68) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL808479 0.91 TSHR (0.64) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL4298840 0.83 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL1335477 0.83 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL4954793 0.83 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678115-B1 PROCESS FOR PREPARING FUNCTIONAL GROUP-CONTAINING OLEFINIC COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2011-11-16 EP disclosed
US-20110264206-A1 Prosthetic Valve with Sealing Members and Methods of Use Thereof MEDTRONIC, INC. (US) 2011-10-27 US disclosed
EP-2314559-A2 Process for preparing functional group-containing olefinic compounds 3M Innovative Properties Company (US) 2011-04-27 EP disclosed
EP-1678115-A2 PROCESS FOR PREPARING FUNCTIONAL GROUP-CONTAINING OLEFINIC COMPOUNDS 3M Innovative Properties Company (US) 2006-07-12 EP disclosed
WO-2005042462-A2 PROCESS FOR PREPARING FUNCTIONAL GROUP-CONTAINING OLEFINIC COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-12 WO disclosed
US-6838576-B1 Process for preparing functional group-containing olefinic compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-04 US disclosed