SCHEMBL8358529

SCHEMBL8358529

[CH]=C(CCCC)c1[c]ccc(CC(CC)CCCC)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CA2 P00918 3/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PRKCA P17252 1/20 0.30
PRKCD Q05655 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
SCHEMBL3936162 0.84 TSHR (0.35) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL4062458 0.80 ALDH1A1 (0.36) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL10737305 0.78 ALDH1A1 (0.36) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL227864 0.71 ALDH1A1 (0.41) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL2860383 0.69 PPARA (0.37) ALDH1A1CYP3A4KDM4E
SCHEMBL30763518 0.69 OPRM1 (0.46) ALDH1A1CA2
SCHEMBL28922215 0.69 OPRM1 (0.46) ALDH1A1CA2
SCHEMBL3900949 0.68 ALDH1A1 (0.35) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL153634 0.68 BDKRB2 (0.48) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL9866754 0.68 ALDH1A1 (0.35) TSHRGLAHTTL3MBTL1ALDH1A1

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
WO-1999038030-A1 IMPROVEMENTS IN AND RELATING TO RADIATION MONITORING BRITISH NUCLEAR FUELS PLC (GB) 1999-07-29 WO disclosed