SCHEMBL3889397

SCHEMBL3889397

Cc1cc(O)cc2c1OCCC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.40
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOA P21397 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
LMNA P02545 1/20 0.36
NR1I2 O75469 3/20 0.36
NOTUM Q6P988 1/20 0.35
ALOX5 P09917 6/20 0.33
CYP19A1 P11511 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL5542434 0.89 CYP3A4 (0.41) AKT1CYP3A4CHRM1ALOX15MAOA
SCHEMBL13534195 0.81 NOTUM (0.38) NOTUM
SCHEMBL20416982 0.81 RAPGEF4 (0.35) LMNANOTUMCTNNB1WNT3A
SCHEMBL14959156 0.78 AKT1 (0.39) AKT1MAOANOTUMCTNNB1WNT3A
SCHEMBL31472199 0.78 NOTUM (0.32) NOTUMCTNNB1WNT3A
SCHEMBL10093043 0.78 PARP1 (0.44) LMNANOTUMCTNNB1WNT3A
SCHEMBL20021297 0.76 POLB (0.35) CYP3A4CHRM1ADRA1AHTR2BLMNA
SCHEMBL31267399 0.74 SELL (0.37) NOTUMCTNNB1WNT3A
SCHEMBL3882921 0.74 AKT1 (0.40) AKT1NOTUMALOX5CTNNB1WNT3A
SCHEMBL30288133 0.74 AKT1 (0.40) AKT1NOTUMALOX5CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858508-A4 COMPOUNDS HAVING ANTI-CANCER PROPERTIES VITAL HEALTH SCIENCES PTY LTD (AU) 2009-01-07 EP disclosed
WO-2008100977-A2 CARBAMATES THERAPEUTIC RELEASE AGENTS AS AMIDASE INHIBITORS N.V. ORGANON (NL) 2008-08-21 WO disclosed
CN-101232879-A Compounds having anti-cancer properties VITAL HEALTH SCIENCES PTY LTD (AU) 2008-07-30 CN disclosed
EP-1858508-A1 COMPOUNDS HAVING ANTI-CANCER PROPERTIES Vital Health Sciences Pty Ltd. (AU) 2007-11-28 EP disclosed
WO-2006092024-A1 COMPOUNDS HAVING ANTI-CANCER PROPERTIES VITAL HEALTH SCIENCES PTY LTD (AU) 2006-09-08 WO disclosed
US-5679393-A TREATING WITH HOT POLAR KETONE SOLVENT; SEPARATION; CRYSTALLIZATION AT LOW TEMPERATURE; FILTRATION; EVAPORATION DESLOG (FR) 1997-10-21 US disclosed
EP-0690904-B1 UNSAPONIFIABLE MATERIALS OF VEGETABLE ORIGIN AND COSMETIC COMPOSITIONS CONTAINING SAME DESLOG (FR) 1997-06-25 EP disclosed
EP-0690904-A1 UNSAPONIFIABLE MATERIALS OF VEGETABLE ORIGIN AND COSMETIC COMPOSITIONS CONTAINING SAME DESLOG (FR) 1996-01-10 EP disclosed
WO-1994021764-A1 UNSAPONIFIABLE MATERIALS OF VEGETABLE ORIGIN AND COSMETIC COMPOSITIONS CONTAINING SAME DESLOG (FR) 1994-09-29 WO disclosed