SCHEMBL7787256

SCHEMBL7787256

COC(=O)CC(=O)c1cc(C)c(C)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 4/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
TSHR P16473 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL7787218 0.86 MGAM (0.47) KMT2AMEN1ALDH1A1MGAMGAA
SCHEMBL7789468 0.83 TSHR (0.37) ALDH1A1KDM4EL3MBTL1TSHRIDO1
SCHEMBL7789518 0.82 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MGAMGAA
SCHEMBL7787230 0.81 KMT2A (0.37) KMT2AMEN1ALDH1A1MGAMGAA
SCHEMBL9278783 0.81 MAPT (0.38) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL7787236 0.79 ESR1 (0.43) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL7789467 0.78 FAAH (0.44) ALDH1A1TSHRLMNA
SCHEMBL7787210 0.77 FAAH (0.47) ALDH1A1TSHRLMNA
SCHEMBL15698069 0.76 HSP90AB1 (0.42) KMT2AMEN1ALDH1A1GAAHSP90AB1
SCHEMBL9532477 0.76 GSK3B (0.32) KMT2AMEN1ALDH1A1GAAHSP90AB1

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
EP-0746306-B1 BENZOYLACETATE ESTERS AS NON-SENSITIZING CHELATING PHOTO-PROTECTANTS PROCTER & GAMBLE (US) 2001-11-07 EP disclosed
US-5492690-A ABSORB ULTRAVIOLET LIGHT, CHELATE METALS TO INHIBIT FORMATION OF FREE RADICALS THE PROCTER & GAMBLE COMPANY (US) 1996-02-20 US disclosed