SCHEMBL11290657

SCHEMBL11290657

CCOS(=O)(=O)OCCCCOS(=O)(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
CA1 P00915 17/20 0.46
CA2 P00918 17/20 0.46
CA9 Q16790 14/20 0.46
CA12 O43570 4/20 0.44
CA7 P43166 4/20 0.44
CA14 Q9ULX7 4/20 0.44
CA3 P07451 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
RECQL P46063 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL3050404 0.93 CA1 (0.58) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL29181652 0.91 CA1 (0.59) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL11832630 0.91 CA1 (0.59) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL188421 0.91 CA1 (0.59) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL7718044 0.91 CA1 (0.59) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL28482169 0.91 CA1 (0.59) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL3047127 0.91 CA1 (0.59) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL1049786 0.91 CA1 (0.59) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL3053415 0.91 CA1 (0.59) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL27813819 0.91 CA1 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4348377-A RADIOPACITY BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1982-09-07 US disclosed
EP-0023992-B1 DERIVATIVES OF 2,4,6-TRIODO-ISOPHTHALIC ACID, PROCESS FOR THEIR PREPARATION AND X-RAY CONTRAST AGENTS CONTAINING THEM BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) 1982-06-23 EP disclosed
EP-0023992-A1 Derivatives of 2,4,6-triodo-isophthalic acid, process for their preparation and X-ray contrast agents containing them BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) 1981-02-18 EP disclosed