SCHEMBL8477018

SCHEMBL8477018

C=C(C)C(=O)NCc1ccccc1OC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.61
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HDAC1 Q13547 1/20 0.57
GAA P10253 1/20 0.56
KDM4E B2RXH2 1/20 0.56
RCE1 Q9Y256 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL10163441 0.87 HPGD (0.65) HPGDMTNR1AMTNR1BMEN1KMT2A
SCHEMBL59797 0.85 ALDH1A1 (0.47) HPGDMTNR1AMTNR1BMEN1KMT2A
SCHEMBL885000 0.83 MTNR1A (0.71) HPGDMTNR1AMTNR1BMEN1KMT2A
SCHEMBL2204065 0.83 NPSR1 (0.64) HPGDMEN1KMT2AHTTALDH1A1
SCHEMBL12899396 0.82 ALDH1A1 (0.64) HPGDMEN1KMT2AHTTALDH1A1
SCHEMBL13434069 0.80 HPGD (0.69) HPGDMEN1KMT2AHTTALDH1A1
SCHEMBL2938380 0.80 KMT2A (0.69) HPGDMEN1KMT2AHTTALDH1A1
SCHEMBL25189340 0.79 HPGD (0.68) HPGDMEN1KMT2AHTTALDH1A1
SCHEMBL9187080 0.79 MTNR1A (0.41) HPGDMTNR1AMTNR1BMEN1KMT2A
SCHEMBL1520822 0.79 NPSR1 (0.68) HPGDMEN1KMT2AHTTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749214-A Containing 1,3 benzoxazole difluoro methylene indole ketone compounds and preparation method thereof 上海大学 2017-05-31 CN disclosed
EP-2314598-A1 Inhibitors of Hepatitis C virus NS3 serine protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-27 EP disclosed
US-5998091-A COPOLYMER OF A MONOFUNCTIONAL MACROMONOMER HAVING A PARTICULAR POLYMERIZABLE DOUBLE BOND-CONTAINING GROUP SITUATED AT ONLY ONE END OF THE MAIN CHAIN, A QUATERNARY AMMONIUM SALT AND AN AMIDE FUJI PHOTO FILM CO., LTD. (JP) 1999-12-07 US disclosed
US-4588656-A Method of preparing a magnetic recording medium FUJI PHOTO FILM CO., LTD. (JP) 1986-05-13 US disclosed