SCHEMBL8378690

SCHEMBL8378690

CCCCCCCC[CH]COCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
CES2 O00748 1/20 0.42
LSS P48449 1/20 0.41
TSHR P16473 2/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9122943 1.00 MEN1 (0.45) MEN1THRBHTTKMT2AMAPT
SCHEMBL8379544 1.00 MEN1 (0.45) MEN1THRBHTTKMT2AMAPT
SCHEMBL28203152 1.00 MEN1 (0.45) MEN1THRBHTTKMT2AMAPT
SCHEMBL11877091 1.00 MEN1 (0.45) MEN1THRBHTTKMT2AMAPT
SCHEMBL5949238 0.95 TSHR (0.41) MEN1THRBHTTKMT2AMAPT
SCHEMBL19512083 0.91 HTT (0.52) MEN1THRBHTTKMT2AMAPT
SCHEMBL9470877 0.89 HTT (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL9686453 0.89 HTT (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL9470622 0.89 HTT (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL9470652 0.89 HTT (0.48) MEN1THRBHTTKMT2AMAPT

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-5986042-A Cross-linked polymer MITSUI CHEMICALS, INC. (JP) 1999-11-16 US disclosed
EP-0856539-A1 Cross-linked polymer Mitsui Chemicals, Inc. (JP) 1998-08-05 EP disclosed