SCHEMBL9857598

SCHEMBL9857598

CCOC(=O)Cc1ccc(O)c(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.53
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HDAC1 Q13547 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FFAR1 O14842 1/20 0.47
CYSLTR2 Q9NS75 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47
LTA4H P09960 4/20 0.47
PLK1 P53350 1/20 0.47
HPSE Q9Y251 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
MAPT P10636 2/20 0.46
ADRB2 P07550 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL9713940 0.92 NR1H4 (0.52) NR1H4NPC1RAB9AHDAC1MEN1
SCHEMBL9857044 0.88 NR1H4 (0.59) NR1H4NPC1RAB9AHDAC1SMN1; SMN2
SCHEMBL9857326 0.88 NR1H4 (0.51) NR1H4NPC1RAB9AHDAC1SMN1; SMN2
SCHEMBL9856852 0.87 NR1H4 (0.58) NR1H4NPC1RAB9AHDAC1SMN1; SMN2
SCHEMBL9713930 0.85 KCNMA1 (0.62) NR1H4NPC1RAB9AHDAC1MEN1
SCHEMBL9857625 0.84 NR1H4 (0.52) NR1H4NPC1RAB9AMEN1KMT2A
SCHEMBL9713649 0.83 NR1H4 (0.63) NR1H4NPC1RAB9AHDAC1SMN1; SMN2
SCHEMBL9713482 0.82 NR1H4 (0.56) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9857546 0.81 NR1H4 (0.52) NR1H4NPC1RAB9AHDAC1POLB
SCHEMBL9857323 0.81 NR1H4 (0.58) NR1H4NPC1RAB9AHDAC1SMN1; SMN2

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-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed