SCHEMBL13694249

SCHEMBL13694249

C=C(C)COC(C)COCCCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.35
LPAR1 Q92633 7/20 0.34
LPAR3 Q9UBY5 7/20 0.34
LPAR2 Q9HBW0 4/20 0.34
PLA2G2C Q5R387 2/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
LPAR5 Q9H1C0 4/20 0.32
LPAR6 P43657 3/20 0.32
LPAR4 Q99677 3/20 0.32

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
SCHEMBL23064092 0.82 CES2 (0.52) TDP1USP2SPHK1TSHRHTT
SCHEMBL23064093 0.82 CES2 (0.52) TDP1USP2SPHK1TSHRHTT
SCHEMBL24034224 0.81 TDP1 (0.38) TDP1
SCHEMBL18784692 0.81 TDP1 (0.36) TDP1TSHR
SCHEMBL32660731 0.79 TDP1 (0.39) TDP1
SCHEMBL1172462 0.79 TDP1 (0.46) TDP1USP2SPHK1TSHRHTT
SCHEMBL29488235 0.79 TDP1 (0.42) TDP1
SCHEMBL80455 0.78 TDP1 (0.52) TDP1USP2SPHK1TSHRHTT
SCHEMBL23064087 0.77 CES2 (0.59) TDP1USP2SPHK1HTTCES2
SCHEMBL23064088 0.77 CES2 (0.59) TDP1USP2SPHK1HTTCES2

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-2009112418-A1 NOVEL POLYCARBONATE POLYORGANOSILOXANE AND/OR POLYURETHANE POLYORGANOSILOXANE COMPOUNDS MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2009-09-17 WO disclosed