SCHEMBL9427792

SCHEMBL9427792

CC(O)c1ccc(-c2ccc(OC(C)c3nc4ccccc4[nH]3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 4/20 0.53
IDO1 P14902 1/20 0.49
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
ALOX12 P18054 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
PDE10A Q9Y233 1/20 0.42
POLB P06746 1/20 0.42
KLF5 Q13887 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL9427505 0.82 ALOX5 (0.46) MLKLGAASMN1; SMN2LMNANPC1
SCHEMBL5532731 0.79 NPC1 (0.54) MLKLIDO1GAASMN1; SMN2LMNA
SCHEMBL9428125 0.78 LMNA (0.41) MLKLIDO1GAASMN1; SMN2LMNA
SCHEMBL5530550 0.77 RAB9A (0.58) IDO1GAASMN1; SMN2LMNAALOX12
SCHEMBL2674618 0.74 IDO1 (0.72) MLKLIDO1GAASMN1; SMN2LMNA
SCHEMBL29537224 0.74 IDO1 (0.72) MLKLIDO1GAASMN1; SMN2LMNA
SCHEMBL2673705 0.74 IDO1 (0.72) MLKLIDO1GAASMN1; SMN2LMNA
SCHEMBL250817 0.74 IDO1 (0.72) MLKLIDO1GAASMN1; SMN2LMNA
SCHEMBL3617238 0.74 ADAMTS4 (0.60)
SCHEMBL4031376 0.74 LMNA (0.43) MLKLIDO1GAASMN1; SMN2LMNA

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
US-5364944-A Antiinflammatory, antiallergic and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-15 US disclosed
US-5218124-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-08 US disclosed