SCHEMBL6948834

SCHEMBL6948834

CCOC(=O)N1C=CC(P(=O)(OCC)OCC)C=C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
ADRA2A P08913 1/20 0.30
NISCH Q9Y2I1 1/20 0.30

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
SCHEMBL9026938 0.77 KDM4E (0.31) GAAMEN1KMT2A
SCHEMBL15127181 0.72 TSHR (0.42) GAAMEN1KMT2ATSHRADRA2A
SCHEMBL6802919 0.69 GAA (0.47) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL27655266 0.68 ALDH1A1 (0.42) GAAALDH1A1TSHR
SCHEMBL11317425 0.65 ALDH1A1 (0.39) GAAALDH1A1TSHR
SCHEMBL7760107 0.65 ALDH1A1 (0.39) GAAALDH1A1TSHR
SCHEMBL6952162 0.63 GAA (0.54) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL28323118 0.60 ALDH1A1 (0.42) GAAALDH1A1TSHR
SCHEMBL6129391 0.60 ALDH1A1 (0.42) GAAALDH1A1TSHR
SCHEMBL7637509 0.60 ALDH1A1 (0.37) GAAMEN1KMT2AALDH1A1TSHR

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-1140899-B1 PROCESS FOR PREPARING TRICYCLIC COMPOUNDS HAVING ANTIHISTAMINIC ACTIVITY SCHERING CORP (US) 2003-09-10 EP disclosed
US-6271378-B1 Process for preparing tricyclic compounds having antihistaminic activity SCHERING CORPORATION 2001-08-07 US disclosed
US-5608056-A Substituted 3-pyrrolidinylthio-carbapenems as antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 US disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed
WO-1993021186-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-28 WO disclosed