SCHEMBL9550442

SCHEMBL9550442

COC(=O)Cc1cccc2cc(-c3ccccc3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 2/20 0.50
CYP2D6 P10635 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
KDM1A O60341 1/20 0.41
CCNT1 O60563 1/20 0.41
PKM P14618 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNC P24863 1/20 0.41
CDK2 P24941 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 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
SCHEMBL9550494 0.89 NTRK1 (0.53) MAOAKDM4ENPC1RAB9AMEN1
SCHEMBL9550370 0.88 HDAC3 (0.53) MAOAMAOBKDM4ENPC1RAB9A
SCHEMBL9550475 0.85 MAOA (0.54) MAOAMAOBKDM4ECYP2D6NPC1
SCHEMBL8677842 0.77 MAOA (0.58) MAOAMAOBKDM4ECYP2D6NPC1
SCHEMBL14848544 0.77 ALDH1A1 (0.44) KDM4ECYP2D6NPC1RAB9APKM
SCHEMBL10547117 0.77 MAOA (0.55) MAOAMAOBKDM4ENPC1RAB9A
SCHEMBL9550412 0.75 KDM4E (0.39) KDM4ECYP2D6HDAC6MEN1KMT2A
SCHEMBL5123575 0.74 MAOB (0.58) MAOAMAOBKDM4ECYP2D6NPC1
SCHEMBL9550408 0.74 MAOB (0.58) MAOAMAOBKDM4ECYP2D6NPC1
SCHEMBL10573839 0.74 MAOB (0.58) MAOAMAOBKDM4ECYP2D6NPC1

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
US-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US disclosed