SCHEMBL6742977

SCHEMBL6742977

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C)COC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 5/20 0.60
GPBAR1 Q8TDU6 4/20 0.60
HSD17B10 Q99714 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
AKR1B10 O60218 2/20 0.60
AKR1B1 P15121 2/20 0.60
LMNA P02545 2/20 0.60
EFNA1 P20827 1/20 0.60
PSEN1 P49768 1/20 0.60
PSEN2 P49810 1/20 0.60
APH1B Q8WW43 1/20 0.60
NCSTN Q92542 1/20 0.60
APH1A Q96BI3 1/20 0.60
PSENEN Q9NZ42 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CDC25A P30304 3/20 0.49
POLA1 P09884 1/20 0.49
CASP7 P55210 3/20 0.46
TP53 P04637 2/20 0.46

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
SCHEMBL21359959 0.92 GPBAR1 (0.56) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL27942321 0.92 GPBAR1 (0.56) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL28063867 0.91 EPHA2 (0.57) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL21948655 0.89 GPBAR1 (0.65) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL27777449 0.89 GPBAR1 (0.56) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL27918613 0.89 GPBAR1 (0.56) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL29712162 0.86 GPBAR1 (0.54) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL4739371 0.86 GPBAR1 (0.66) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL28063809 0.85 EPHA2 (0.57) EPHA2GPBAR1HSD17B10TDP1AKR1B10
SCHEMBL4737390 0.84 GPBAR1 (0.63) EPHA2GPBAR1HSD17B10TDP1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030157158-A1 Enhanced liposomal thioretinaco ozonide compositions and liposomal carrier MCCULLY KILMER S (US) 2003-08-21 US claimed
US-6696082-B2 COMPLEX COMPRISING N-HOMOCYSTEINE THIOLACTONYL RETINAMIDE, COBALAMIN, OZONE, OXYGEN, AND ADENOSINE TRIPHOSPHATE; ANTICARCINGENIC, ANTITUMOR, AND VIRICIDAL AGENTS; ATHEROSCLEROSIS PREVENTION; AGING RESISTANCE MCCULLY KILMER S (US) 2004-02-24 US disclosed
US-20030157158-A1 Enhanced liposomal thioretinaco ozonide compositions and liposomal carrier MCCULLY KILMER S (US) 2003-08-21 US disclosed
WO-2003057192-A1 ENHANCED LIPOSOMAL THIORETINACO OZONIDE COMPOSITIONS AND LIPOSOMAL CARRIER MCCULLY KILMER S (US) 2003-07-17 WO disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 WO disclosed
US-4684479-A Surfactant mixtures, stable gas-in-liquid emulsions, and methods for the production of such emulsions from said mixtures CAVITATION-CONTROL TECHNOLOGY, INC. 1987-08-04 US disclosed