SCHEMBL4413835

SCHEMBL4413835

NNC(=O)CCOc1ccc(Sc2ccc(OCCC(=O)NN)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MMP3 P08254 2/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.45
THRB P10828 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 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
SCHEMBL4411547 0.89 MMP3 (0.54) SMN1; SMN2MMP3CYP1A2CYP3A4CYP2C19
SCHEMBL4412300 0.84 MMP3 (0.50) SMN1; SMN2MMP3CYP1A2CYP3A4CYP2C19
SCHEMBL4412344 0.84 MMP3 (0.63) SMN1; SMN2MMP3CYP1A2CYP3A4CYP2C19
SCHEMBL17365273 0.83 SMN1; SMN2 (0.62) SMN1; SMN2LMNAGAAHPGDNPSR1
SCHEMBL4419519 0.81 LTA4H (0.50) SMN1; SMN2MMP3CYP1A2CYP3A4CYP2C19
SCHEMBL19043180 0.81 MAPT (0.61) SMN1; SMN2GAAHPGDCYP1A2CYP3A4
SCHEMBL4411549 0.81 CA1 (0.56) MMP3CYP3A4ALDH1A1NPC1MAPT
SCHEMBL6761507 0.81 ALDH1A1 (0.51) LMNAHPGDNPSR1MMP3ALDH1A1
SCHEMBL4414363 0.81 GAA (0.51) SMN1; SMN2LMNAGAAMMP3CYP1A2
SCHEMBL4412374 0.81 CYP1A2 (0.67) SMN1; SMN2MMP3CYP1A2CYP3A4CYP2C19

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-7638565-B2 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2009-12-29 US disclosed
US-20070054998-A1 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2007-03-08 US disclosed
EP-1686156-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-08-02 EP disclosed