SCHEMBL8745000

SCHEMBL8745000

C#CCOCCCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HTT P42858 5/20 0.46
THRB P10828 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
CES2 O00748 2/20 0.43
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
CES1 P23141 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL19519203 1.00 TSHR (0.47) TSHRHTTTHRBMEN1KMT2A
SCHEMBL8745030 1.00 TSHR (0.47) TSHRHTTTHRBMEN1KMT2A
SCHEMBL6141331 1.00 TSHR (0.47) TSHRHTTTHRBMEN1KMT2A
SCHEMBL15096837 1.00 TSHR (0.47) TSHRHTTTHRBMEN1KMT2A
SCHEMBL8027738 1.00 TSHR (0.47) TSHRHTTTHRBMEN1KMT2A
SCHEMBL7147818 1.00 TSHR (0.47) TSHRHTTTHRBMEN1KMT2A
SCHEMBL766216 1.00 TSHR (0.47) TSHRHTTTHRBMEN1KMT2A
SCHEMBL766010 1.00 TSHR (0.47) TSHRHTTTHRBMEN1KMT2A
SCHEMBL1143522 0.98
SCHEMBL17738112 0.96 HTT (0.54) TSHRHTTTHRBMEN1KMT2A

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
EP-0596197-B1 Lubricating composition comprising an N-acyl-N-hydrocarbon- oxyalkyl aspartic acid compound KING INDUSTRIES INC (US) 1997-01-29 EP claimed
EP-0161626-B1 SILVER HALIDE COLOR PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1990-12-05 EP claimed
US-5290960-A Diacetylenic phospholipids containing heteroatom near diacetylenic functionality for modulation of microstructure morphology THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1994-03-01 US disclosed
US-4137329-A Insecticidal propargyl ethers HOFFMANN-LA ROCHE INC. (US) 1979-01-30 US disclosed