SCHEMBL11111063

SCHEMBL11111063

C=CCN(OCCCCC)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.42
TSHR P16473 4/20 0.40
CES2 O00748 1/20 0.38
HPGD P15428 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
NAAA Q02083 1/20 0.35
ZDHHC20 Q5W0Z9 2/20 0.35
FAAH O00519 1/20 0.34
EPHX1 P07099 1/20 0.33
ZDHHC2 Q9UIJ5 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
SCHEMBL11105630 0.87 HCAR2 (0.37) HCAR2TSHRHPGDALDH1A1ATM
SCHEMBL1347487 0.86 HCAR2 (0.42) HCAR2TSHRCES2HPGDPLA2G2C
SCHEMBL27976697 0.85 ZDHHC20 (0.43) HCAR2TSHRCES2HPGDPLA2G2C
SCHEMBL11110109 0.80 ALDH1A1 (0.38) HCAR2TSHRALDH1A1
SCHEMBL17466647 0.79 TSHR (0.42) HCAR2TSHRHPGDALDH1A1ATM
SCHEMBL11111060 0.78 TSHR (0.44) HCAR2TSHRCES2HPGDALDH1A1
SCHEMBL11036842 0.76 MAPT (0.35) TSHRALDH1A1
SCHEMBL11884618 0.74 HCAR2 (0.47) HCAR2TSHRHPGDALDH1A1ATM
SCHEMBL27907040 0.74 ZDHHC20 (0.44) HCAR2TSHRCES2HPGDPLA2G2C
SCHEMBL8680666 0.74 TSHR (0.39) HCAR2TSHRHPGDALDH1A1

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-0103895-A2 Novel hydroxylamine derivatives, production and use thereof MEIJI SEIKA KABUSHIKI KAISHA (JP) 1984-03-28 EP disclosed