SCHEMBL7557667

SCHEMBL7557667

CCCCCCCCc1ccc2c(c1)CC(O)c1cc(CCCCCCCC)ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
DRD2 P14416 1/20 0.45
GPR3 P46089 1/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41
HSPE1 P61604 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
SCHEMBL7561126 0.83 HTR2A (0.45) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL4900272 0.77 HTR2A (0.55) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL4895814 0.77 HTR2A (0.55) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL4887234 0.77 HTR2A (0.55) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL4898274 0.77 HTR2A (0.55) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL30369240 0.77 HTR2A (0.55) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL7558559 0.76 THRA (0.54) HTR2AALDH1A1TP53S1PR1S1PR3
Fluoride SCHEMBL27510143 0.76 GPR3 (0.50) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL31228811 0.75 HTR2A (0.52) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL2930325 0.75 HTR2A (0.52) SLC6A2SLC6A4HTR2AHTR2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946473-B1 FLUORINATED PHENANTRENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES AVENTIS RES & TECHNOLOGY GMBH (DE) 2002-07-31 EP disclosed
US-6168838-B1 FOR FERROELECTRIC SWITCHING AND/OR DISPLAY DEVICE AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-01-02 US disclosed
EP-0946473-A1 FLUORINATED PHENANTRENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co. KG. (DE) 1999-10-06 EP disclosed
WO-1998027035-A1 FLUORINATED PHENANTRENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed