SCHEMBL8669698

SCHEMBL8669698

C=CCC(OCC)C(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARA Q07869 12/20 0.40
PPARG P37231 8/20 0.40
PPARD Q03181 8/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
ELANE P08246 1/20 0.38
THRB P10828 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL28008652 0.83 L3MBTL1 (0.46) ATML3MBTL1PPARAPPARGPPARD
SCHEMBL28008251 0.80 PPARA (0.47) ATML3MBTL1PPARAPPARGPPARD
SCHEMBL28598689 0.79 ELANE (0.43) ATML3MBTL1PPARAPPARGPPARD
SCHEMBL28008693 0.79 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL27442266 0.79 ATM (0.43) ATML3MBTL1CYP2C19PPARAPPARG
SCHEMBL27918124 0.79 ATM (0.43) ATML3MBTL1CYP2C19MAPTTDP1
SCHEMBL27914267 0.78 ELANE (0.45) ATML3MBTL1CYP2C19MAPTELANE
SCHEMBL19105309 0.78 CYP2C19 (0.47) ATML3MBTL1CYP2C19MAPTTDP1
SCHEMBL28313029 0.78 CYP2C19 (0.47) ATML3MBTL1CYP2C19MAPTTDP1
SCHEMBL28008679 0.78 TDP1 (0.46) ATML3MBTL1PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622451-B1 Perfumed hypochlorite bleaching compositions PROCTER & GAMBLE (US) 1998-12-02 EP claimed
EP-0622451-B1 Perfumed hypochlorite bleaching compositions PROCTER & GAMBLE (US) 1998-12-02 EP disclosed
EP-0867503-A2 Perfumed hypochlorite bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1998-09-30 EP disclosed
CN-1118349-A Oxime derivatives of cephalosporanic structure and compounds for their preparation ACS DOBFAR SPA (IT) 1996-03-13 CN disclosed
EP-0622451-A1 Perfumed hypochlorite bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1994-11-02 EP disclosed