SCHEMBL9498038

SCHEMBL9498038

C=C(COCCCCCCCCCCCCCCCC)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 2/20 0.37
CES1 P23141 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
SPHK1 Q9NYA1 1/20 0.30
PLA2G4B P0C869 2/20 0.30
PLA2G2C Q5R387 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
SCHEMBL20898183 0.81 CES2 (0.59) CES2HTTMEN1THRBKMT2A
SCHEMBL20898213 0.81 CES2 (0.59) CES2HTTMEN1THRBKMT2A
SCHEMBL11415281 0.79 CES2 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL30825845 0.76 HTT (0.44) CES2HTTMEN1THRBKMT2A
SCHEMBL13645501 0.75 DUT (0.38) HTTMEN1THRBKMT2AMAPT
SCHEMBL8072599 0.75 DUT (0.38) HTTMEN1THRBKMT2AMAPT
SCHEMBL9671669 0.75 DUT (0.38) HTTMEN1THRBKMT2AMAPT
SCHEMBL18746891 0.75 DUT (0.38) HTTMEN1THRBKMT2AMAPT
SCHEMBL31039441 0.75 DUT (0.38) HTTMEN1THRBKMT2AMAPT
SCHEMBL5652054 0.75 DUT (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208223-A Enzyme inhibitors AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
US-5144045-A Treatment of inflammatory related disorders AMERICAN CYANAMID COMPANY (US) 1992-09-01 US disclosed