SCHEMBL1067728

SCHEMBL1067728

O=C(O)OC1=Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PTGS2 P35354 2/20 0.37
GPR84 Q9NQS5 1/20 0.36
TRPA1 O75762 5/20 0.34
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
CD69 Q07108 1/20 0.33
SRD5A2 P31213 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
SCHEMBL4442002 0.84 MAOA (0.45) MAOAMAOBMTNR1AMTNR1BPTGS2
SCHEMBL29049090 0.77 CD69 (0.53) MAOAMAOBMTNR1AMTNR1BCD69
SCHEMBL7150887 0.74 ALOX5 (0.48) MAOAMAOBPTGS2
SCHEMBL30586108 0.73 GPR84 (0.45) MAOAMAOBMTNR1AMTNR1BPTGS2
SCHEMBL29049098 0.73 MAOA (0.41) MAOAMAOBMTNR1AMTNR1BPTGS2
SCHEMBL6907494 0.72 PTGS2 (0.41) MAOAMAOBMTNR1AMTNR1BPTGS2
SCHEMBL8031056 0.72 PTGS2 (0.53) MAOAMAOBMTNR1AMTNR1BPTGS2
SCHEMBL17830823 0.72 MAOA (0.40) MAOAMAOBMTNR1AMTNR1BPTGS2
SCHEMBL15058205 0.72 MAOA (0.40) MAOAMAOBMTNR1AMTNR1BPTGS2
SCHEMBL28207332 0.72 MAOA (0.40) MAOAMAOBMTNR1AMTNR1BPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268625-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-01-05 EP disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed
EP-0683435-B1 Positive-working radiation-sensitive composition AGFA GEVAERT AG (DE) 1997-06-04 EP disclosed
EP-0683435-A1 Positive-working radiation-sensitive composition HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-22 EP disclosed