SCHEMBL5603973

SCHEMBL5603973

[CH2]CC(F)(CCCCC)CCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
FAAH O00519 7/20 0.37
CES1 P23141 5/20 0.37
GGPS1 O95749 4/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FDPS P14324 6/20 0.35

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
SCHEMBL8398259 0.91 CES2 (0.38) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL7754602 0.80 CES2 (0.43) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL11252385 0.80 CES2 (0.43) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL7755757 0.80 CES2 (0.43) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL7751100 0.77 CES2 (0.40) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL26630656 0.76 CES2 (0.41) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL28331668 0.76 CES2 (0.41) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL24926244 0.76 CES2 (0.48) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL21004248 0.76 CES2 (0.48) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL21004295 0.76 CES2 (0.48) CES2LPAR1LPAR3TSHRTHRB

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-1245627-B1 Organic silicon nano-microhybrid system or micro-hybrid system containing compositions for scratch and abrasion resistant coatings DEGUSSA (DE) 2007-07-04 EP disclosed
EP-1245627-A2 Organic silicon nano-microhybrid system or micro-hybrid system containing compositions for scratch and abrasion resistant coatings Degussa AG (DE) 2002-10-02 EP disclosed