SCHEMBL9704510

SCHEMBL9704510

CCCCc1cc(O)ccc1CCC(=O)NN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.51
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX5 P09917 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
GFER P55789 1/20 0.44
CNR2 P34972 6/20 0.43
CNR1 P21554 5/20 0.43
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41

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
SCHEMBL423696 0.84 TYR (0.56) TYRHTTMEN1TP53CYP3A4
SCHEMBL1789904 0.82 TYR (0.57) TYRHTTMEN1TP53CYP3A4
SCHEMBL9339634 0.81 TYR (0.74) TYRHTTMEN1TP53CYP3A4
SCHEMBL27537794 0.78 TYR (0.69) TYRHTTMEN1TP53CYP3A4
SCHEMBL4563615 0.78 TYR (0.69) TYRHTTMEN1TP53CYP3A4
SCHEMBL19453933 0.78 TYR (0.69) TYRHTTMEN1TP53CYP3A4
SCHEMBL27600486 0.78 TYR (0.69) TYRHTTMEN1TP53CYP3A4
SCHEMBL28790855 0.77 CYP4F2 (0.52) TYRHTTMEN1TP53CYP3A4
SCHEMBL27836584 0.77 GAA (0.56) HTTCYP3A4ALOX5KMT2APOLB
SCHEMBL28793655 0.76 ALOX5 (0.73) TYRHTTMEN1TP53CYP3A4

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
WO-1992008747-A1 NOVEL ANTIOXIDANT AND LIGHT STABILIZER BOUND OLIGOMER SYSTEMS FOR RADIATION CURED MATERIALS DSM N.V. (NL) 1992-05-29 WO claimed
WO-1992008747-A1 NOVEL ANTIOXIDANT AND LIGHT STABILIZER BOUND OLIGOMER SYSTEMS FOR RADIATION CURED MATERIALS DSM N.V. (NL) 1992-05-29 WO disclosed