SCHEMBL6854734

SCHEMBL6854734

CCCC(C)COP(=O)(OCC(C)CCC)OCC(C)CCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 3/20 0.42
FDPS P14324 1/20 0.36
METAP1 P53582 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL140317 0.86 CYP3A4 (0.62) CYP3A4L3MBTL1TSHRFDPSTRPM8
SCHEMBL17333138 0.84 TSHR (0.37) CYP3A4L3MBTL1TSHRFDPSMETAP1
SCHEMBL4860056 0.84 TSHR (0.37) CYP3A4L3MBTL1TSHRFDPSMETAP1
SCHEMBL8437881 0.83 CYP3A4 (0.53) CYP3A4L3MBTL1FDPSTRPM8
SCHEMBL2476420 0.82 LPAR5 (0.43) TSHRFDPSMETAP1
SCHEMBL2473497 0.82 FDPS (0.43) CYP3A4L3MBTL1TSHRFDPSMETAP1
SCHEMBL6858014 0.80 CYP3A4 (0.48) CYP3A4L3MBTL1TSHRTRPM8
SCHEMBL8858248 0.79 CYP3A4 (0.50) CYP3A4L3MBTL1TSHRFDPSMETAP1
SCHEMBL20260279 0.78 CYP3A4 (0.49) CYP3A4L3MBTL1TSHRFDPSTRPM8
SCHEMBL2947905 0.78 CYP3A4 (0.63) CYP3A4L3MBTL1TSHRFDPSMETAP1

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
US-4012480-A MULTISTAGE COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1977-03-15 US claimed
US-6828407-B2 Membrane for fuel cells SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-07 US disclosed
US-20030166824-A1 Polymer electrolyte composition and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-04 US disclosed
US-3932579-A Recovery of rhenium UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-01-13 US disclosed