SCHEMBL9778705

SCHEMBL9778705

CC1(c2ccc(OCCOc3ccccc3)cc2)SCCS1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.44
LTA4H P09960 4/20 0.43
PKM P14618 2/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 2/20 0.41
HTR1B P28222 2/20 0.41
HTR1D P28221 1/20 0.41
MAOA P21397 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
RECQL P46063 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PLA2G2A P14555 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 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
SCHEMBL9778729 0.94 LTA4H (0.41) KCNA3LTA4HPKMMAPTRAB9A
SCHEMBL9778753 0.87 DRD2 (0.42) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL9778543 0.86 BACE1 (0.49) RAB9AMAOBMAOA
SCHEMBL9778430 0.86 BACE1 (0.48) KCNA3PKMRAB9AMAOBMAOA
SCHEMBL9778865 0.84 MMP2 (0.47) LTA4HMAOALMNA
SCHEMBL9778769 0.84 MMP2 (0.54) MAPTRAB9AMAOBMAOAMEN1
SCHEMBL9778739 0.82 NPC1 (0.49) LTA4HRAB9AMAOBMAOACHRNB4
SCHEMBL9778754 0.81 BACE1 (0.47) LTA4HRAB9AMAOBMAOA
SCHEMBL9778702 0.81 KDM4E (0.43) ALDH1A1MEN1LMNAKMT2A
SCHEMBL9778487 0.80 BACE1 (0.46) KCNA3LTA4HRAB9AMAOBMAOA

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