SCHEMBL5505282

SCHEMBL5505282

O=C1c2c(cccc2-c2cccc3ccccc23)CC1c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
MTNR1A P48039 1/20 0.41
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP2 O95551 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
GALK1 P51570 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 2/20 0.39

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
SCHEMBL5951222 0.83 IDO1 (0.48) IDO1MTNR1AMAPTMAPK1ALDH1A1
SCHEMBL5505283 0.81 CYP19A1 (0.40) MAPTALDH1A1HPGDKDM4EHTR1A
SCHEMBL5951252 0.79 ACHE (0.56) MAPTALDH1A1HPGDNPSR1KDM4E
SCHEMBL5952027 0.76 HTR7 (0.39) MAPTALDH1A1HPGDNPSR1KDM4E
SCHEMBL5953322 0.76 HTR7 (0.43) MAPTALDH1A1HPGDHTR1AHTR7
SCHEMBL5952199 0.76 HTR7 (0.41) MAPTALDH1A1HPGDNPSR1KDM4E
SCHEMBL5951730 0.75 ACHE (0.45) MAPTMAPK1ALDH1A1HPGDNPSR1
SCHEMBL10685434 0.74 IDO1 (0.53) IDO1MTNR1AMAPTMAPK1ALDH1A1
SCHEMBL5953305 0.74 HTR7 (0.44) MTNR1AMAPTALDH1A1HPGDHTR1A
SCHEMBL15874769 0.74 CYP19A1 (0.52) IDO1MTNR1AMAPTMAPK1ALDH1A1

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
JP-2007326874-A METHOD FOR PRODUCING SUBSTITUTED INDANONE TARGOR GMBH 2007-12-20 JP disclosed