SCHEMBL6230097

SCHEMBL6230097

CCCCCCCCCCCCCCCC(Br)I

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
DNM1 Q05193 2/20 0.43
ZDHHC7 Q9NXF8 1/20 0.43
OPRM1 P35372 1/20 0.42
SMPD1 P17405 3/20 0.40
FDPS P14324 3/20 0.39
GPR84 Q9NQS5 2/20 0.39
SPHK1 Q9NYA1 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
SCHEMBL11022142 1.00 LCK (0.48) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL6791289 1.00 LCK (0.48) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL7069579 1.00 LCK (0.48) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL3805670 1.00 LCK (0.48) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL20377261 0.97
SCHEMBL2362985 0.88
1-Bromobutane SCHEMBL1249759 0.79 DNM1 (0.35) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL27674294 0.78 LCK (0.48) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL10900080 0.78 LMNA (0.46) LMNA
SCHEMBL27248836 0.77 LCK (0.43) LCKPPARDZDHHC20ZDHHC2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034210-B1 FINE PARTICLE SIZE LOW BULK DENSITY THERMOPLASTIC POLYMERS HERCULES INC (US) 2005-03-30 EP disclosed
EP-1153029-A2 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 2001-11-14 EP disclosed
WO-2000030688-A2 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 2000-06-02 WO disclosed