SCHEMBL4411183

SCHEMBL4411183

NNC(=O)CCOc1cccc(OCCC(=O)NN)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.45

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
SCHEMBL4412374 0.87 CYP1A2 (0.67) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7190843 0.86 CYP1A2 (0.65) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4411547 0.85 MMP3 (0.54) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
Isophthalic Acid SCHEMBL17394551 0.83 SMN1; SMN2 (0.60) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4412344 0.80 MMP3 (0.63) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4412300 0.80 MMP3 (0.50) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3267877 0.79 HDAC1 (0.63) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6189108 0.78 CYP1A2 (0.55) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4412917 0.78 NPC1 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL19043180 0.77 MAPT (0.61) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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