SCHEMBL7787218

SCHEMBL7787218

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MIF P14174 1/20 0.44
MAPT P10636 3/20 0.42
NLRP3 Q96P20 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7789518 0.89 ALDH1A1 (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7787236 0.86 ESR1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7787256 0.86 KMT2A (0.37) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7789467 0.85 FAAH (0.44) ALDH1A1TSHR
SCHEMBL7787210 0.84 FAAH (0.47) ALDH1A1TSHR
SCHEMBL7786525 0.83 GAA (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9278783 0.78 MAPT (0.38) ALDH1A1MEN1KMT2AMAPT
SCHEMBL15698069 0.77 HSP90AB1 (0.42) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL8183324 0.77 MEN1 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28836387 0.76 ALDH1A1 (0.57) MGAMGAASIMGAM2ALDH1A1

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 4 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
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