SCHEMBL6496853

SCHEMBL6496853

[CH2]NC(=O)Cc1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
USP2 O75604 1/20 0.58
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CTBP2 P56545 1/20 0.56
RAB9A P51151 1/20 0.55
MAPK8 P45983 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CSNK1D P48730 1/20 0.53
GLS O94925 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
KCNQ2 O43526 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL11022943 0.85 HDAC1 (0.65) POLBUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL10154070 0.85 POLB (0.60) POLBUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL31249652 0.85 SMN1; SMN2 (0.61) POLBUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL378705 0.85 SMN1; SMN2 (0.61) POLBUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL968090 0.84 POLB (0.59) POLBUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL15831226 0.83 POLB (0.58) POLBUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL2748652 0.81 POLB (0.56) POLBUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL21980986 0.81 USP2 (0.59) POLBUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL4071390 0.81 CTBP2 (0.64) POLBUSP2ALDH1A1HTTSMN1; SMN2
SCHEMBL5103284 0.80 USP2 (0.84) POLBUSP2ALDH1A1SMN1; SMN2RAB9A

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-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed