SCHEMBL9778602

SCHEMBL9778602

c1ccc(OCCOc2ccc(C3OCCCO3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
KCNA3 P22001 1/20 0.44
HTR1A P08908 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
LTA4H P09960 3/20 0.41
ADRA1A P35348 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PLA2G2A P14555 1/20 0.40
CTSK P43235 1/20 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
SCHEMBL9778856 0.97 KCNA3 (0.48) MAOBMAOAKCNA3HTR1ATDP1
SCHEMBL9778747 0.93 MAOB (0.50) MAOBMAOAKCNA3HTR1ATDP1
SCHEMBL9778590 0.88 NPC1 (0.51) MAOBMAOALTA4H
SCHEMBL9778641 0.86 MAOB (0.48) MAOBMAOAKCNA3HTR1ATDP1
SCHEMBL9778840 0.85 MAOB (0.49) MAOBMAOAHTR1ATDP1HPGD
SCHEMBL9779134 0.85 KDM4E (0.45) PKMHPGDKCNH2HRH3LTA4H
SCHEMBL9778697 0.85 KDM4E (0.44) KCNH2HRH3ALDH1A1
SCHEMBL9778485 0.85 LTA4H (0.41) MAOBMAOAHTR1ATDP1HPGD
SCHEMBL9778742 0.84 KDM1A (0.49) MAOAHPGDHTTKCNH2LTA4H
SCHEMBL9778773 0.84 TDP1 (0.48) TDP1PKMALDH1A1

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-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed