SCHEMBL10339339

SCHEMBL10339339

C1=CC(Oc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.42
SLC6A2 P23975 6/20 0.40
SLC6A3 Q01959 5/20 0.40
SLC6A4 P31645 4/20 0.40
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
CTSC P53634 2/20 0.35
LTA4H P09960 1/20 0.33
TSHR P16473 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
CTSH P09668 1/20 0.32
CTSF Q9UBX1 1/20 0.32

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
SCHEMBL11503080 0.93 LTA4H (0.43) HRH1SLC6A2SLC6A3SLC6A4LTA4H
SCHEMBL4371441 0.88 HRH1 (0.44) HRH1SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL15740993 0.85 HRH1 (0.42) HRH1SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL15740987 0.85 HRH1 (0.42) HRH1SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL15740991 0.85 HRH1 (0.42) HRH1SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL27768223 0.78 CHRNB4 (0.42) ALDH1A1
SCHEMBL10546701 0.75 SLC6A2 (0.47) HRH1SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL9146008 0.73
SCHEMBL19822418 0.72 LMNA (0.46) SLC6A2SLC6A3LTA4HCYP2C19
SCHEMBL18404195 0.72 HRH1 (0.40) HRH1SLC6A2SLC6A3SLC6A4DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2200652-A None JP disclosed
JP-H02200652-A 3-PHENOXYCYCLOPENTENE DERIVATIVE, PREPARATION THEREOF AND PREPARATION OF CYCLOPENTA(B)BENZOFURAN DERIVATIVE FROM THE SAME DERIVATIVE TORAY IND INC 1990-08-08 JP disclosed
EP-0127143-B1 NOVEL ARYLOXYCYCLOALKANOLAMINOALKYLENE ARYL KETONES MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-21 EP disclosed
US-4868315-A HYPOTENSIVE AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1989-09-19 US disclosed
US-4745222-A HYPOTENSIVE AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1988-05-17 US disclosed
EP-0127143-A2 Novel aryloxycycloalkanolaminoalkylene aryl ketones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-12-05 EP disclosed