SCHEMBL11058652

SCHEMBL11058652

C=C(C)COc1ccc(C)cc1C(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.54
ABCB1 P08183 3/20 0.54
SRC P12931 2/20 0.48
TGFBR1 P36897 2/20 0.48
TP53 P04637 3/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL538221 0.84 ELANE (0.51) PTGDR2ABCB1MEN1KMT2ANPSR1
SCHEMBL7177104 0.83 ABCB1 (0.61) PTGDR2ABCB1SRCTGFBR1TP53
SCHEMBL11062415 0.81 ABCB1 (0.54) PTGDR2ABCB1SRCTGFBR1TP53
SCHEMBL5171831 0.81 MRGPRX4 (0.59) PTGDR2ABCB1SRCTGFBR1TP53
SCHEMBL30070859 0.81 ABCB1 (0.56) PTGDR2ABCB1SRCTGFBR1TP53
SCHEMBL23393405 0.81 ABCB1 (0.56) PTGDR2ABCB1SRCTGFBR1TP53
SCHEMBL30677933 0.81 ELANE (0.56) ABCB1SRCTGFBR1TP53GAA
SCHEMBL16046408 0.81 ELANE (0.56) ABCB1SRCTGFBR1TP53GAA
SCHEMBL18928202 0.80 MAPT (0.59) ABCB1SRCTGFBR1TP53GAA
SCHEMBL30785077 0.79 TP53 (0.66) ABCB1SRCTGFBR1TP53GAA

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
US-4467082-A Organopolysiloxane photosensitizers and methods for their preparation DOW CORNING CORPORATION (US) 1984-08-21 US disclosed
EP-0088842-A1 Organopolysiloxane photosensitizers and methods for their preparation Toray Silicone Company Limited (JP) 1983-09-21 EP disclosed