SCHEMBL13617299

SCHEMBL13617299

CCOC(=O)C(CCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)P(=O)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KCNN4 O15554 1/20 0.37
DUT P33316 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3845473 0.91 SMN1; SMN2 (0.43) POLBSMN1; SMN2ALDH1A1GAATHRB
SCHEMBL3845471 0.91 SMN1; SMN2 (0.43) POLBSMN1; SMN2ALDH1A1GAATHRB
SCHEMBL6784313 0.78 POLB (0.50) POLBSMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL14286704 0.77 TDP1 (0.53) SMN1; SMN2ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL10932475 0.76 CETP (0.35) POLBSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL15778088 0.75 POLB (0.52) POLBSMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL1759186 0.74 POLB (0.46) POLBALDH1A1TSHRGAAL3MBTL1
SCHEMBL10847001 0.73 POLB (0.41) POLBALDH1A1TSHRKMT2A
SCHEMBL8616386 0.73 TDP1 (0.49) POLBSMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL1239980 0.73 POLB (0.52) POLBSMN1; SMN2ALDH1A1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed