SCHEMBL4416871

SCHEMBL4416871

NNC(=O)CCc1ccc(-c2ccc(Oc3ccc(-c4ccc(CCC(=O)NN)cc4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.51
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
SRD5A2 P31213 1/20 0.45
ACACB O00763 2/20 0.45
ACACA Q13085 2/20 0.45
HDAC1 Q13547 1/20 0.45
FFAR4 Q5NUL3 2/20 0.44
MMP12 P39900 2/20 0.44
MMP13 P45452 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44

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
SCHEMBL4409663 0.95 FFAR1 (0.56) FFAR1HDAC2HDAC8CYP1A2CYP3A4
SCHEMBL13903016 0.81 ALDH1A1 (0.67) ALDH1A1POLBF2RL1
SCHEMBL9704119 0.81 HDAC2 (0.51) FFAR1HDAC2HDAC8CYP1A2CYP3A4
SCHEMBL4411258 0.79 MAPT (0.54) FFAR1ALDH1A1POLBACACBFFAR4
SCHEMBL16576414 0.78 GAA (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4416866 0.77 FFAR4 (0.48) FFAR1HDAC2HDAC8CYP1A2CYP3A4
SCHEMBL6037022 0.77 HDAC2 (0.62) HDAC2HDAC8CYP1A2CYP3A4CYP2D6
SCHEMBL3864591 0.76 KMT2A (0.51) CYP2C19ALDH1A1POLBF2RL1
SCHEMBL2836138 0.75 CYP3A4 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17967143 0.75 HDAC1 (0.57) FFAR1HDAC2HDAC8CYP1A2CYP3A4

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