SCHEMBL7022979

SCHEMBL7022979

O=CC1COOc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL8588712 0.81 LTB4R (0.40) CYP19A1
SCHEMBL449446 0.75 MAOA (0.34) CYP19A1MAOAMAOBATM
Diethylamine SCHEMBL28458671 0.71 CYP2D6 (0.40) CYP19A1
SCHEMBL7347250 0.71 KDM1A (0.35) MAOAMAOBATM
SCHEMBL17185573 0.71 MAOA (0.34) CYP19A1MAOAMAOB
SCHEMBL28596155 0.71 MAOA (0.34) CYP19A1MAOAMAOB
SCHEMBL97554 0.70 ITGB2 (0.41)
SCHEMBL1519101 0.69 ALDH1A1 (0.39) MAOAMAOBATM
SCHEMBL3832884 0.68 P2RX4 (0.36) MAOAMAOBATM
SCHEMBL10654198 0.68 POLB (0.43) CYP19A1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193976-A Oxygen scavenging compositions and packages comprising the same CONSTAR INT INC (US) 2008-06-04 CN claimed
CN-102199337-A Packaging wall, method for preparing products, method of packaging oxygen sensitive material and method for preparing packaging material CONSTAR INT INC 2011-09-28 CN disclosed
CN-101193976-A Oxygen scavenging compositions and packages comprising the same CONSTAR INT INC (US) 2008-06-04 CN disclosed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP disclosed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 WO disclosed
EP-1147114-A1 NOVEL ARALKYL AMINES OF SPIROFUROPYRIDINES USEFUL IN THERAPY AstraZeneca AB (SE) 2001-10-24 EP disclosed
EP-1056433-A1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-12-06 EP disclosed
EP-1056434-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-12-06 EP disclosed
WO-2000042044-A1 NOVEL ARALKYL AMINES OF SPIROFUROPYRIDINES USEFUL IN THERAPY ASTRAZENECA AB (SE) 2000-07-20 WO disclosed
WO-2000038639-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-07-06 WO disclosed
WO-2000038638-A1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-07-06 WO disclosed