SCHEMBL8936367

SCHEMBL8936367

CCNCCC(CO)(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.35
SAT1 P21673 2/20 0.32
KDM1A O60341 5/20 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
SCHEMBL17778018 0.86 CYP2C19 (0.33) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL28088560 0.79 CYP2C19 (0.39) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL24541955 0.78 CYP2C19 (0.43) CYP2C19MEN1GLAKMT2ACYP1A2
Diethylamine SCHEMBL27824227 0.77 TP53 (0.53) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL8604583 0.72 ALDH1A1 (0.32) TSHR
SCHEMBL3282192 0.72
SCHEMBL27872838 0.70
Water SCHEMBL20657265 0.70 CYP2C19 (0.41) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL4667751 0.70
SCHEMBL841906 0.69

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-0646179-A4 SIMPLIFIED EXTRACTION METHOD FOR BACTERIAL ANTIGENS USING DRIED REAGENTS. QUIDEL CORP (US) 1996-10-02 EP claimed
EP-0646179-A1 SIMPLIFIED EXTRACTION METHOD FOR BACTERIAL ANTIGENS USING DRIED REAGENTS QUIDEL CORPORATION (US) 1995-04-05 EP claimed
WO-1993015217-A1 SIMPLIFIED EXTRACTION METHOD FOR BACTERIAL ANTIGENS USING DRIED REAGENTS QUIDEL CORPORATION (US) 1993-08-05 WO claimed