SCHEMBL8539842

SCHEMBL8539842

COCC1(COC)C=Cc2cc(F)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
XDH P47989 1/20 0.37
HIF1A Q16665 11/20 0.36
EPAS1 Q99814 9/20 0.36
COXFA4 O00483 1/20 0.31
MEN1 O00255 1/20 0.30
PLIN1 O60240 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
PLIN5 Q00G26 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8535510 0.82 NPSR1 (0.41) HTR2CPTGS1PTGS2XDHHIF1A
SCHEMBL8534981 0.78 CA12 (0.40) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL8535288 0.76 TLR3 (0.46) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL6024450 0.74 HTR2C (0.54) HTR2CDRD2HTR2APTGS1PTGS2
SCHEMBL23957147 0.66 HTR2C (0.73) HTR2CDRD2HTR2APTGS1PTGS2
SCHEMBL9531520 0.65 HIF1A (0.46) HTR2CDRD2HTR2APTGS1PTGS2
SCHEMBL3413994 0.64 HTR2C (1.00) HTR2CDRD2HTR2AMAPT
SCHEMBL9983223 0.64 AKR1B1 (0.36) HTR2CDRD2HTR2A
SCHEMBL8130347 0.64 PTGS1 (0.36) HTR2CDRD2HTR2APTGS1PTGS2
SCHEMBL9736524 0.63 PTGS1 (0.46) PTGS1PTGS2XDHMEN1KMT2A

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-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed