SCHEMBL8973291

SCHEMBL8973291

COc1ccccc1CC(C)CNO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
IDO1 P14902 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL18505011 0.81 LMNA (0.50) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL748982 0.81 LMNA (0.50) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL765677 0.81 LMNA (0.50) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL23961372 0.79 IDO1 (0.48) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL8221027 0.79 IDO1 (0.48) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL9480536 0.78 IDO1 (0.52) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL27806416 0.78 ADRB2 (0.55) CYP2D6SLC6A2SLC6A4KCNH2TSHR
SCHEMBL4450092 0.77 IDO1 (0.47) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL6014412 0.77 TAAR1 (0.56) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL5873472 0.77 IDO1 (0.50) HPGDHTTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985402-A FRAGRANCE FOR DETERGENTS, COSMETICS, BLEACHES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1991-01-15 US claimed
EP-0440362-B1 2,2-Dimethyl-1-nitrilo or 2,2-dimethyl-1-hydroxylamino-3-(alkyl phenyl)substituted propanes or 2-methyl-1-nitrilo-or 2-methyl-1-hydroxylamino-3-(methoxyphenyl) propane, organoleptic uses thereof and processes for preparing same INT FLAVORS & FRAGRANCES INC (US) 1996-04-03 EP disclosed
EP-0440362-A1 2,2-Dimethyl-1-nitrilo or 2,2-dimethyl-1-hydroxylamino-3-(alkyl phenyl)substituted propanes or 2-methyl-1-nitrilo-or 2-methyl-1-hydroxylamino-3-(methoxyphenyl) propane, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1991-08-07 EP disclosed
EP-0440362-A1 2,2-Dimethyl-1-nitrilo or 2,2-dimethyl-1-hydroxylamino-3-(alkyl phenyl)substituted propanes or 2-methyl-1-nitrilo-or 2-methyl-1-hydroxylamino-3-(methoxyphenyl) propane, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1991-08-07 EP disclosed
EP-0440362-A1 2,2-Dimethyl-1-nitrilo or 2,2-dimethyl-1-hydroxylamino-3-(alkyl phenyl)substituted propanes or 2-methyl-1-nitrilo-or 2-methyl-1-hydroxylamino-3-(methoxyphenyl) propane, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1991-08-07 EP disclosed