SCHEMBL16099757

SCHEMBL16099757

CCCn1c2ccc(CC=O)cc2c2cc(OC)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.54
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GRIK2 Q13002 2/20 0.42
▸ GRIK1 P39086 1/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ PLA2G2A P14555 1/20 0.41
▸ POLB P06746 2/20 0.41

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
SCHEMBL16093698 0.82 ALDH1A1 (0.58) PTGER4KDM4EHSD17B10MEN1KMT2A
SCHEMBL16093752 0.81 HPGD (0.44) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL16099561 0.81 KDM4E (0.47) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL16097572 0.81 ALDH1A1 (0.44) KDM4EHSD17B10ALDH1A1MAPTHPGD
SCHEMBL16093825 0.79 PGR (0.41) PTGER4ALDH1A1MAPTHPGDHTT
SCHEMBL16093634 0.76 MAPT (0.53) MEN1KMT2AMAPTL3MBTL1CNR2
SCHEMBL16099756 0.76 HPGD (0.55) PTGER4MAOAMAOBKDM4EHSD17B10
SCHEMBL24525575 0.74 P2RX4 (0.58) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL22087155 0.74 MAOA (0.68) PTGER4MAOAMAOBKDM4EHSD17B10
SCHEMBL22042200 0.74 MAOA (0.68) PTGER4MAOAMAOBKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
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