SCHEMBL11041873

SCHEMBL11041873

CCCCCCCCCCCCO[CH]CCOCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
THRB P10828 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
CES2 O00748 2/20 0.42
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 2/20 0.39
CES1 P23141 1/20 0.38

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
SCHEMBL11043429 1.00 HTT (0.50) HTTTHRBMEN1KMT2AMAPT
SCHEMBL11042882 1.00 HTT (0.50) HTTTHRBMEN1KMT2AMAPT
SCHEMBL11041500 1.00 HTT (0.50) HTTTHRBMEN1KMT2AMAPT
SCHEMBL11038680 0.98 HTT (0.46) HTTTHRBMEN1KMT2AMAPT
SCHEMBL4493298 0.93 HTT (0.48) HTTTHRBMEN1KMT2AMAPT
SCHEMBL7637944 0.93 MEN1 (0.48) HTTTHRBMEN1KMT2AMAPT
SCHEMBL4497954 0.89 HTT (0.48) HTTTHRBMEN1KMT2AMAPT
SCHEMBL198612 0.86 TSHR (0.44) THRBMAPTUSP2TSHR
SCHEMBL980876 0.86 TSHR (0.44) THRBMAPTUSP2TSHR
SCHEMBL199912 0.86 TSHR (0.44) THRBMAPTUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4477447-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-16 US disclosed