SCHEMBL22697129

SCHEMBL22697129

CC(C#N)=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.72
MEN1 O00255 3/20 0.72
CYP3A4 P08684 3/20 0.72
MAPT P10636 3/20 0.72
TSHR P16473 3/20 0.72
BLM P54132 3/20 0.72
KMT2A Q03164 3/20 0.72
HSD17B10 Q99714 3/20 0.72
ALDH1A1 P00352 3/20 0.72
CYP1A2 P05177 3/20 0.72
CYP2C9 P11712 3/20 0.72
RGS12 O14924 2/20 0.72
GMNN O75496 2/20 0.72
LMNA P02545 2/20 0.72
TP53 P04637 2/20 0.72
HPGD P15428 2/20 0.72
ALOX15 P16050 2/20 0.72
NFKB1 P19838 2/20 0.72
CYP2C19 P33261 2/20 0.72
THPO P40225 2/20 0.72

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
SCHEMBL13941361 1.00 SMN1; SMN2 (0.72) SMN1; SMN2MEN1CYP3A4MAPTTSHR
SCHEMBL10144266 0.89 IGF1R (0.76) SMN1; SMN2MEN1CYP3A4MAPTTSHR
SCHEMBL26214345 0.86 SMN1; SMN2 (0.53) SMN1; SMN2MEN1CYP3A4MAPTTSHR
Tyrphostin A9 SCHEMBL120440 0.84 MEN1 (1.00) SMN1; SMN2MEN1CYP3A4MAPTTSHR
SCHEMBL25736022 0.80 MEN1 (0.78) SMN1; SMN2MEN1CYP3A4MAPTTSHR
SCHEMBL7175613 0.79 SMN1; SMN2 (0.61) SMN1; SMN2MEN1CYP3A4MAPTTSHR
SCHEMBL13051195 0.77 EGFR (0.64) SMN1; SMN2MEN1CYP3A4MAPTTSHR
Tyrphostin Ag 879 SCHEMBL607701 0.77 MAPT (1.00) SMN1; SMN2MEN1CYP3A4MAPTTSHR
Tyrphostin Ag 879 SCHEMBL607702 0.77 MAPT (1.00) SMN1; SMN2MEN1CYP3A4MAPTTSHR
SCHEMBL8346188 0.77 EGFR (0.76) SMN1; SMN2MEN1CYP3A4MAPTTSHR

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-3172272-B1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & CO (US) 2020-11-25 EP disclosed