SCHEMBL9637324

SCHEMBL9637324

CCCCOC(COCCO)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 1/20 0.47
USP2 O75604 2/20 0.41
ALDH1A1 P00352 3/20 0.41
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
LPAR2 Q9HBW0 1/20 0.38
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL28078345 0.98 TSHR (0.56) TSHRMEN1KMT2AHTTTHRB
SCHEMBL8616123 0.94 TSHR (0.52) TSHRMEN1KMT2AHTTTHRB
SCHEMBL9637326 0.94 TSHR (0.56) TSHRMEN1KMT2AHTTTHRB
SCHEMBL11522848 0.87 HTT (0.53) TSHRMEN1KMT2AHTTTHRB
SCHEMBL9502490 0.87 TSHR (0.42) TSHRHTTUSP2LPAR1LPAR3
SCHEMBL12653855 0.85 TSHR (0.60) TSHRMEN1KMT2AHTTTHRB
SCHEMBL9061242 0.84 TSHR (0.46) TSHRMEN1KMT2AHTTTHRB
SCHEMBL28534846 0.84 TSHR (0.39) TSHRHTTUSP2ALDH1A1LPAR1
SCHEMBL7197519 0.84 HTT (0.59) TSHRMEN1KMT2AHTTTHRB
SCHEMBL11026183 0.82 TSHR (0.47) TSHRMEN1KMT2AHTTTHRB

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
EP-0252690-B1 ANTISTATIC PLASTICISERS BP Chemicals Limited (GB) 1992-08-12 EP claimed
EP-0252690-A2 Antistatic plasticisers BP Chemicals Limited (GB) 1988-01-13 EP claimed