SCHEMBL9839441

SCHEMBL9839441

COc1ccc(CC(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
IDO1 P14902 2/20 0.47
AOC3 Q16853 1/20 0.46
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CALM1 P0DP23 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
EPHX2 P34913 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL10368035 0.91 HTT (0.56) HTTLMNANPSR1SMN1; SMN2SIGMAR1
SCHEMBL8612119 0.91 LTA4H (0.53) HTTLMNANPSR1SMN1; SMN2SIGMAR1
SCHEMBL9837849 0.89 LMNA (0.55) HTTLMNANPSR1SMN1; SMN2KMT2A
SCHEMBL8480984 0.88 LMNA (0.44) HTTLMNANPSR1SMN1; SMN2IDO1
SCHEMBL7710668 0.82 AOC3 (0.57) HTTLMNANPSR1IDO1AOC3
SCHEMBL26695481 0.81 IDO1 (0.54) HTTSMN1; SMN2IDO1CALM1CA12
SCHEMBL11132376 0.79 IDO1 (0.50) HTTSMN1; SMN2IDO1AOC3CALM1
SCHEMBL6865347 0.79 LMNA (0.49) HTTLMNANPSR1SMN1; SMN2AOC3
SCHEMBL14679275 0.79 IDO1 (0.50) SMN1; SMN2IDO1CALM1CA12CA1
SCHEMBL6935441 0.79 LMNA (0.49) HTTLMNANPSR1SMN1; SMN2AOC3

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
US-5015666-A With hydroxy or alkoxy substituents on the triarylcyclopropanes Board of Reagents of the University of Oklahoma (US) 1991-05-14 US disclosed