SCHEMBL13680832

SCHEMBL13680832

COc1cccc(CCC=O)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LIPG Q9Y5X9 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.38
MPO P05164 1/20 0.37
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
BTK Q06187 1/20 0.36
ADORA2A P29274 1/20 0.36
ACACB O00763 1/20 0.35
KCNH2 Q12809 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL248518 0.82 KDM1A (0.41) KDM1AMAOAMAOBLIPGTRPM5
SCHEMBL13680823 0.79 TRPV3 (0.34) KCNH2
SCHEMBL13680849 0.78 SCN9A (0.43)
SCHEMBL15677623 0.78 KCNH2 (0.47) KDM1AMAOAMAOBLIPGMPO
SCHEMBL14626155 0.78 KDM1A (0.48) KDM1AMAOAMAOBLIPGTRPM5
SCHEMBL932468 0.77 KDM1A (0.42) KDM1AMAOAMAOBLIPGTRPM5
SCHEMBL1463893 0.77 PARP1 (0.36) KDM1AMAOAMAOBKCNH2
SCHEMBL6193822 0.77 SMN1; SMN2 (0.45) KDM1AMAOAMAOBMPOKCNH2
SCHEMBL2940008 0.77 MPO (0.43) KDM1AMAOAMAOBLIPGMPO
SCHEMBL29792045 0.77 MPO (0.43) KDM1AMAOAMAOBLIPGMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed