SCHEMBL7788988

SCHEMBL7788988

COc1ccccc1C(NC(=O)c1ccccc1)c1cccc(Nc2c(OC)c(=O)c2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
RXFP1 Q9HBX9 1/20 0.45
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMO Q99835 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NLRP3 Q96P20 1/20 0.40
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7789413 0.89 RXFP1 (0.44) ALDH1A1RXFP1KCNK3KCNK9GAA
SCHEMBL7787169 0.86 ALDH1A1 (0.58) ALDH1A1RXFP1KCNK9GAALMNA
SCHEMBL7785458 0.80 ALDH1A1 (0.64) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL7784998 0.78 MAPKAPK2 (0.41) ALDH1A1KCNK3KCNK9GAALMNA
SCHEMBL7784878 0.77 ALDH1A1 (0.68) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL7787611 0.76 MAPKAPK2 (0.46) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL7789410 0.75 ALDH1A1 (0.57) ALDH1A1RXFP1KCNK9GAALMNA
SCHEMBL7785313 0.73 GPR88 (0.49) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL7789059 0.71 MAPKAPK2 (0.49) GAAMEN1KMT2AMAPK1
SCHEMBL7780618 0.71 MAPKAPK2 (0.42) MEN1KMT2APOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed