SCHEMBL5139534

SCHEMBL5139534

[CH2]C(=C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.56
CA1 P00915 2/20 0.56
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
POLB P06746 1/20 0.54
TYR P14679 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 3/20 0.52
MAPT P10636 3/20 0.48
ALOX15 P16050 3/20 0.48
HPN P05981 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
LMNA P02545 3/20 0.47
RECQL P46063 1/20 0.47
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 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
SCHEMBL5139536 0.82 SMN1; SMN2 (0.59) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL6136796 0.80 LMNA (0.55) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL18015287 0.80 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL699315 0.77 LMNA (0.51) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL6473435 0.76 SMN1; SMN2 (0.63) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL47590 0.76 LMNA (0.55) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL9179297 0.75 LMNA (0.50) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL5597413 0.75 CA2 (0.48) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL8495448 0.74 ALOX5 (0.65) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL28333456 0.74 LMNA (0.49) CA2CA1ALDH1A1SMN1; SMN2POLB

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
EP-1908784-A1 PROCESS FOR PRODUCING CYCLOOLEFINIC RESIN COMPOSITION, AND CYCLOOLEFINIC RESIN COMPOSITION Mitsui Chemicals, Inc. (JP) 2008-04-09 EP disclosed