SCHEMBL7787230

SCHEMBL7787230

COC(=O)CC(=O)c1ccc(C)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 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
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7786525 0.86 GAA (0.47) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL7781861 0.83 TSHR (0.40) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL7787256 0.81 KMT2A (0.37) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL9272419 0.81 ERCC5 (0.38) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL3494181 0.76 CA12 (0.47) ALDH1A1LMNAMAPTHSD17B10GAA
SCHEMBL7450427 0.76 HSP90AB1 (0.47) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL3166061 0.76 ERCC5 (0.62) KMT2AMEN1LMNAHSD17B10ERCC5
SCHEMBL3677000 0.75 MEN1 (0.59) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL507731 0.73 TSHR (0.46) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL8732527 0.71 TDP2 (0.36) KMT2AMEN1ALDH1A1HTTLMNA

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 6 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
EP-0746306-A1 BENZOYLACETATE ESTERS AS NON-SENSITIZING CHELATING PHOTO-PROTECTANTS THE PROCTER & GAMBLE COMPANY (US) 1996-12-11 EP disclosed
EP-0698008-A1 NOVEL LUPANE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 1996-02-28 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
WO-1995023585-A1 BENZOYLACETATE ESTERS AS NON-SENSITIZING CHELATING PHOTO-PROTECTANTS THE PROCTER & GAMBLE COMPANY (US) 1995-09-08 WO disclosed
WO-1994026695-A1 NOVEL LUPANE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1994-11-24 WO disclosed