SCHEMBL8523627

SCHEMBL8523627

C=CC(O)c1cc(C)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
TRPA1 O75762 2/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL7865964 0.81 THRB (0.34) TDP1ALOX15CYP3A4THRBALDH1A1
SCHEMBL6684924 0.81 THRB (0.34) TDP1ALOX15CYP3A4THRBALDH1A1
SCHEMBL13967832 0.79 TP53 (0.35) TDP1TP53CYP3A4ALDH1A1MAPT
SCHEMBL21230645 0.78 ALOX15 (0.52) TDP1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL8238644 0.76 TDP1 (0.50) TDP1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL1197991 0.76 ALOX15 (0.50) TDP1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL646259 0.72 CYP3A4 (0.38) TDP1ALOX15SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL8238576 0.72 ALOX15 (0.45) TDP1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL5566753 0.72 ALOX15 (0.45) TDP1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL13657379 0.71 TSHR (0.51) TDP1CYP3A4ALDH1A1TSHRMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101868218-A Curable composition for dental applications TOKUYAMA DENTAL CORP 2010-10-20 CN disclosed
EP-0889933-A1 METHODS OF CURING UNSATURATED POLYMERS USING TERTIARY AROMATIC AMINE CURE PROMOTERS First Chemical Corporation (US) 1999-01-13 EP disclosed
WO-1997035916-A1 METHODS OF CURING UNSATURATED POLYMERS USING TERTIARY AROMATIC AMINE CURE PROMOTERS FIRST CHEMICAL CORPORATION (US) 1997-10-02 WO disclosed