SCHEMBL9306776

SCHEMBL9306776

COC(=O)CNCC(=O)OC.Cc1cc(C(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 4/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AGTR1 P30556 1/20 0.43
TSHR P16473 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
SCHEMBL9309149 0.81 NPC1 (0.55) ALDH1A1KMT2AMEN1NPC1
SCHEMBL9306766 0.77 ALDH1A1 (0.46) MAPTALDH1A1CES2CES1KMT2A
SCHEMBL6160168 0.75 RAB9A (0.66) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8720282 0.75 MEN1 (0.58) MAPTALDH1A1CES2CES1KMT2A
SCHEMBL7787691 0.75 ALDH1A1 (0.74) MAPTALDH1A1CES2CES1KMT2A
SCHEMBL6158148 0.74 KMT2A (0.57) MAPTALDH1A1CES2CES1KMT2A
SCHEMBL181572 0.74 CES2 (0.78) MAPTALDH1A1CES2CES1KMT2A
SCHEMBL10539201 0.73 KMT2A (0.62) MAPTALDH1A1CES2CES1KMT2A
SCHEMBL11593026 0.72 CES2 (0.76) ALDH1A1CES2CES1KMT2AMEN1
Malonic Acid Diethyl Ester SCHEMBL27871201 0.72 MEN1 (0.58) MAPTALDH1A1CES2CES1KMT2A

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
US-5308754-A Terbium compounds KANKARE JOUKO J 1994-05-03 US disclosed