SCHEMBL8680801

SCHEMBL8680801

COCOc1cc(Cl)ccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HTR2A P28223 3/20 0.37
SLC6A4 P31645 3/20 0.37
KCNH2 Q12809 3/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
LMNA P02545 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL17551834 0.86 MAPT (0.59) MAPTHTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL15779290 0.85 KDM4C (0.45) MAPTHTTALDH1A1LMNAS1PR4
SCHEMBL8681232 0.84 SLC6A4 (0.38) MAPTHTR2ASLC6A4KCNH2HTT
SCHEMBL3325248 0.82 CYP1A2 (0.49) MAPTHTR2ASLC6A4HTTALDH1A1
SCHEMBL1679612 0.82 PDCD1 (0.50) MAPTHTR2ASLC6A4KCNH2HTT
SCHEMBL29825398 0.82 PDCD1 (0.50) MAPTHTR2ASLC6A4KCNH2HTT
SCHEMBL15462235 0.81 PDCD1 (0.40) MAPTHTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL15777952 0.79 MAPT (0.48) MAPTALDH1A1SMN1; SMN2LMNAPSEN1
SCHEMBL15463254 0.79 APLNR (0.46) MAPTALDH1A1PDCD1CD274PDE4A
SCHEMBL17625677 0.78 ALDH1A1 (0.46) MAPTALDH1A1NPSR1LMNAMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP disclosed