SCHEMBL1956804

SCHEMBL1956804

COc1cccc(COC(O)c2ccc3ccccc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
FFAR1 O14842 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
UGT2B7 P16662 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
MAOB P27338 2/20 0.43
KMT2A Q03164 2/20 0.42
ABCB1 P08183 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL6791737 0.75 MTNR1A (0.56) MTNR1AMTNR1BUGT2B7CYP1A2CYP2A6
SCHEMBL1119907 0.74 KMT2A (0.55) MTNR1AMTNR1BSMN1; SMN2KMT2A
SCHEMBL12633238 0.74 KMT2A (0.55) MTNR1AMTNR1BSMN1; SMN2KMT2A
SCHEMBL21577457 0.74 MAOB (0.68) IDO1AGXTMAPTHTTSMN1; SMN2
SCHEMBL809144 0.73 TAAR1 (0.47) IDO1AGXTMTNR1AMTNR1BCYP1A2
SCHEMBL809143 0.73 TAAR1 (0.47) IDO1AGXTMTNR1AMTNR1BCYP1A2
SCHEMBL12220716 0.73 IDO1 (0.62) IDO1AGXTTAAR1MAOBABCB1
SCHEMBL20976148 0.72 UGT2B7 (0.62) UGT2B7CYP1A2CYP2A6KMT2A
SCHEMBL1956803 0.72 KMT2A (0.55) IDO1AGXTCYP1A2CYP2A6TAAR1
SCHEMBL11791317 0.72 CALM1 (0.46) MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013008900-A1 METHODS AND KITS FOR DECREASING INTERFERENCES FROM LEUKOCYTES IN SPECIFIC BINDING ASSAYS ABBOTT JAPAN CO. LTD. (JP) 2013-01-17 WO disclosed
WO-2011068681-A1 ASSAY FOR CARDIAC TROPONIN-T (cTnT) ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed