SCHEMBL7370159

SCHEMBL7370159

CCOP(=O)(OCC)C(NC(=O)c1ccccc1)P(=O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
POLB P06746 2/20 0.49
MAPT P10636 3/20 0.48
PIN1 Q13526 1/20 0.47
CA12 O43570 1/20 0.46
MMP2 P08253 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
PRSS1 P07477 2/20 0.45
CTSG P08311 2/20 0.45
CTRB1 P17538 2/20 0.45
CMA1 P23946 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8827819 0.88 SMN1; SMN2 (0.63) SMN1; SMN2POLBMAPTPIN1GAA
SCHEMBL9811841 0.81 CA12 (0.67) SMN1; SMN2PIN1CA12MMP2CA14
SCHEMBL7375035 0.77 SMN1; SMN2 (0.53) SMN1; SMN2POLBMAPTPIN1GAA
SCHEMBL14377773 0.77 SMN1; SMN2 (0.60) SMN1; SMN2POLBPIN1GAARAB9A
SCHEMBL22021302 0.77 MAPT (0.51) SMN1; SMN2POLBMAPTCA12MMP2
SCHEMBL11769179 0.76 CYP3A4 (0.42) SMN1; SMN2POLBMAPTCA12GAA
SCHEMBL8831678 0.75 SMN1; SMN2 (0.57) SMN1; SMN2POLBMAPTPIN1GAA
SCHEMBL8827769 0.75 SMN1; SMN2 (0.57) SMN1; SMN2POLBMAPTPIN1ALDH1A1
SCHEMBL11774080 0.73 CYP3A4 (0.59) SMN1; SMN2POLBMAPTGAAALDH1A1
SCHEMBL9857359 0.73 SMN1; SMN2 (0.55) SMN1; SMN2POLBMAPTGAAALDH1A1

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
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed