SCHEMBL7633754

SCHEMBL7633754

CCCOc1ccccc1C(=O)CC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
HIF1A Q16665 1/20 0.54
MAPT P10636 5/20 0.52
KDM4E B2RXH2 3/20 0.52
CYP3A4 P08684 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 4/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL7638388 0.93 NPC1 (0.66) NPC1KMT2AMEN1HIF1AMAPT
SCHEMBL7631355 0.88 NPC1 (0.71) NPC1KMT2AMEN1MAPTKDM4E
SCHEMBL29483366 0.88 NPC1 (0.71) NPC1KMT2AMEN1MAPTKDM4E
SCHEMBL30444952 0.83 DRD2 (0.61) KMT2AMEN1HIF1AMAPTKDM4E
SCHEMBL5598745 0.83 DRD2 (0.61) KMT2AMEN1HIF1AMAPTKDM4E
SCHEMBL7645232 0.82 KDM4E (0.58) KMT2AMEN1HIF1AMAPTKDM4E
SCHEMBL1549099 0.82 NPC1 (0.72) NPC1KMT2AMEN1MAPTKDM4E
SCHEMBL28625679 0.81 KMT2A (0.53) KMT2AMEN1HIF1AMAPTKDM4E
Water SCHEMBL27563973 0.81 DRD2 (0.59) KMT2AMEN1HIF1AMAPTKDM4E
SCHEMBL28961946 0.81 MAPT (0.53) NPC1KMT2AMEN1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448304-B1 POLYURETHANE, POLYTHIOURETHANE OR DIETHYLENE GLYCOL BISALLYLCARBONATE POLYMER; DIPPING IN SOLUTION CONTAINING A DIBENZOYLMETHANE OR A BENZOTRIZOLE COMPOUND; PLASTIC LENS FOR SPECTACLES WHICH ABSORBS ULTRAVIOLET RAYS; LOW YELLOWNESS HOYA CORPORATION (JP) 2002-09-10 US disclosed