SCHEMBL4413665

SCHEMBL4413665

NNC(=O)CCc1occ2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
HIF1A Q16665 1/20 0.54
ALDH1A1 P00352 4/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.43
OGG1 O15527 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.35
CTSD P07339 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL7140950 0.83 EGFR (0.41) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL7859850 0.81 KEAP1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL31115079 0.80 MAPT (0.49) CYP1A2CYP3A4CYP2D6CYP2C9HIF1A
SCHEMBL28242000 0.77 MAPT (0.44) CYP3A4CYP2C19ALDH1A1GAAMAPT
SCHEMBL23804836 0.75 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL2961433 0.73 TDP1 (0.37) CYP1A2CYP2C19CYP2C9ALDH1A1GAA
SCHEMBL971316 0.73 HTR2A (0.37) CYP1A2CYP3A4CYP2D6ALDH1A1GAA
SCHEMBL5880775 0.72 HSD11B1 (0.41) CYP2C19ALDH1A1GAAKDM4EKMT2A
SCHEMBL3147406 0.72 KDM4E (0.39) CYP2C19ALDH1A1GAAKDM4EKMT2A
SCHEMBL10370767 0.72 KDM4E (0.41) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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