SCHEMBL7107624

SCHEMBL7107624

O=C1OOCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.61
MAOB P27338 2/20 0.61
CES1 P23141 3/20 0.43
BCHE P06276 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 4/20 0.39
ACHE P22303 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
TYMS P04818 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL22284 0.76 MAOA (1.00) MAOAMAOBCES1BCHEALDH1A1
SCHEMBL6903786 0.76 MAOA (1.00) MAOAMAOBCES1BCHEALDH1A1
SCHEMBL29448271 0.76 MAOA (1.00) MAOAMAOBCES1BCHEALDH1A1
SCHEMBL6353583 0.76 MAOA (1.00) MAOAMAOBCES1BCHEALDH1A1
SCHEMBL11522370 0.76 MAOA (1.00) MAOAMAOBCES1BCHEALDH1A1
Hydrochloric Acid SCHEMBL11215152 0.74 MAOA (0.95) MAOAMAOBCES1ALDH1A1MAPT
Water SCHEMBL11007472 0.74 MAOA (0.95) MAOAMAOBCES1ALDH1A1MAPT
Fluoride SCHEMBL8592140 0.74 MAOA (0.95) MAOAMAOBCES1ALDH1A1MAPT
SCHEMBL12540036 0.74 MAOA (0.95) MAOAMAOBCES1ALDH1A1MAPT
Benzene SCHEMBL18492989 0.74 MAOA (0.95) MAOAMAOBCES1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620892-B1 Increasing fluidity index by cuts of chains using stable nitroxyl free radical compound ATOFINA (FR) 2003-09-16 US claimed
EP-1192192-B1 METHOD FOR THE PRODUCTION OF A CONTROLLED RHEOLOGICAL POLYPROPYLENE RESIN ATOFINA (FR) 2003-03-26 EP claimed
US-3956253-A PEROXIDE CROSSLINKING AGENT, COMPRESSION, PLASTICIZING RUHRCHEMIE AKTIENGESELLSCHAFT (DT) 1976-05-11 US claimed
EP-1314730-B1 REAGENT FOR DETERMINING SINGLET OXYGEN DAIICHI PURE CHEMICALS CO LTD (JP) 2007-01-10 EP disclosed
US-6620892-B1 Increasing fluidity index by cuts of chains using stable nitroxyl free radical compound ATOFINA (FR) 2003-09-16 US disclosed
US-3956253-A PEROXIDE CROSSLINKING AGENT, COMPRESSION, PLASTICIZING RUHRCHEMIE AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed