SCHEMBL6943189

SCHEMBL6943189

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6948834 0.87 GAA (0.33) ALDH1A1TSHR
SCHEMBL6802919 0.69 GAA (0.47) ALDH1A1TSHR
SCHEMBL9026938 0.68 KDM4E (0.31)
SCHEMBL27655266 0.68 ALDH1A1 (0.42) ALDH1A1ALOX15TSHRTDP1
SCHEMBL11317425 0.65 ALDH1A1 (0.39) ALDH1A1ALOX15TSHRTDP1
SCHEMBL7760107 0.65 ALDH1A1 (0.39) ALDH1A1ALOX15TSHR
SCHEMBL6954684 0.63 GAA (0.54) ALDH1A1TSHRTDP1
SCHEMBL11158001 0.60 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL6129391 0.60 ALDH1A1 (0.42) ALDH1A1ALOX15TSHR
SCHEMBL28798940 0.60 ALDH1A1 (0.42) ALDH1A1CYP3A4ALOX15TSHRTDP1

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 4 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
EP-1140899-A1 PROCESS FOR PREPARING TRICYCLIC COMPOUNDS HAVING ANTIHISTAMINIC ACTIVITY SCHERING CORPORATION (US) 2001-10-10 EP disclosed
US-6271378-B1 Process for preparing tricyclic compounds having antihistaminic activity SCHERING CORPORATION 2001-08-07 US disclosed
WO-2000037457-A1 PROCESS FOR PREPARING TRICYCLIC COMPOUNDS HAVING ANTIHISTAMINIC ACTIVITY SCHERING CORPORATION (US) 2000-06-29 WO disclosed