SCHEMBL7557461

SCHEMBL7557461

CC(=O)C(Cc1ccc(C(=O)Nc2ccccc2)o1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 6/20 0.45
MAPT P10636 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 3/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL7557438 0.78 L3MBTL1 (0.46) KMT2AMEN1ALDH1A1CYP2C19LMNA
SCHEMBL18161428 0.77 RAB9A (0.61) KMT2AMEN1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL18161442 0.74 SMN1; SMN2 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7575343 0.72 ALDH1A1 (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL7557506 0.72 SMN1; SMN2 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7576681 0.71 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL7555918 0.71 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL7057941 0.70 MMP1 (0.48) SMN1; SMN2ALDH1A1TSHR
SCHEMBL7492161 0.70 LMNA (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL7555657 0.70 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1MAPK1

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
EP-0882701-B1 SUBSTITUTED AMIDE DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-07-24 EP disclosed
US-6048894-A FARNESYL-PROTEIN TRANSFERASE INHIBITORS, ANTITUMOR OR ANTICANCER AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-11 US disclosed
EP-0882701-A1 SUBSTITUTED AMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed