SCHEMBL8601689

SCHEMBL8601689

CCCCCOC/C=C/CO

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.43
USP2 O75604 1/20 0.42
CES2 O00748 2/20 0.41
LSS P48449 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL7755361 1.00 HTT (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL9679074 0.98 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL7348249 0.98 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL7348238 0.98 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL7920125 0.98 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL7920128 0.98 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL7754003 0.98 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL5440335 0.93 TSHR (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL13889961 0.93 TSHR (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL9474466 0.93 TSHR (0.50) HTTMEN1THRBKMT2AMAPT

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
JP-10237018-A None JP disclosed
JP-10251198-A None JP disclosed
JP-H10251198-A PRODUCTION OF 1-ACYLOXY-4-HYDROXY-2-BUTENE KURARAY CO LTD 1998-09-22 JP disclosed
JP-H10237018-A PRODUCTION OF 4-ACYLOXY-3-HYDROXY-1-BUTENE KURARAY CO LTD 1998-09-08 JP disclosed