SCHEMBL9856859

SCHEMBL9856859

CCOC(=O)COc1cc(C(=O)OCC)ccc1NC(=O)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.52
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
SCN5A Q14524 2/20 0.46
SCN2A Q99250 2/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
PLK1 P53350 3/20 0.46
CYP1A2 P05177 1/20 0.46
PPARG P37231 1/20 0.45
CYSLTR2 Q9NS75 3/20 0.44
CYSLTR1 Q9Y271 3/20 0.44
PLA2G4B P0C869 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
PGR P06401 1/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL9857365 0.93 NR1H4 (0.52) NR1H4MAPTLMNAPOLBSCN5A
SCHEMBL9856987 0.90 LMNA (0.55) NR1H4MAPTLMNAPOLBSCN5A
SCHEMBL9857383 0.89 NR1H4 (0.50) NR1H4MAPTLMNAPOLBSCN5A
SCHEMBL9857546 0.87 NR1H4 (0.52) NR1H4MAPTLMNAPOLBSCN5A
SCHEMBL9713032 0.86 PLK1 (0.53) NR1H4MAPTLMNAPOLBSCN5A
SCHEMBL9713482 0.86 NR1H4 (0.56) NR1H4MAPTSCN5ASCN2AKMT2A
SCHEMBL9712980 0.85 NR1H4 (0.54) NR1H4MAPTLMNAPOLBSCN5A
SCHEMBL9856932 0.85 MAPT (0.52) NR1H4MAPTLMNAPOLBSCN5A
SCHEMBL9857326 0.85 NR1H4 (0.51) NR1H4MAPTLMNAPOLBSCN5A
SCHEMBL9712885 0.85 NR1H4 (0.51) NR1H4MAPTLMNAPOLBSCN5A

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 3 patents. 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
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed