SCHEMBL9856932

SCHEMBL9856932

CCOC(=O)COc1ccc(Cl)cc1NC(=O)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 1/20 0.52
NR1H4 Q96RI1 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
SCN5A Q14524 2/20 0.46
SCN2A Q99250 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PLK1 P53350 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 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
SCHEMBL9713032 0.91 PLK1 (0.53) MAPTLMNAPOLBNR1H4ALDH1A1
SCHEMBL9712966 0.90 NR1H4 (0.50) MAPTLMNAPOLBNR1H4SCN5A
SCHEMBL9857546 0.90 NR1H4 (0.52) MAPTLMNAPOLBNR1H4SCN5A
SCHEMBL9857365 0.90 NR1H4 (0.52) MAPTLMNAPOLBNR1H4SCN5A
SCHEMBL9712980 0.90 NR1H4 (0.54) MAPTLMNAPOLBNR1H4SCN5A
SCHEMBL9713749 0.90 NR1H4 (0.49) MAPTLMNAPOLBNR1H4SCN5A
SCHEMBL9857326 0.89 NR1H4 (0.51) MAPTLMNAPOLBNR1H4SCN5A
SCHEMBL9712885 0.89 NR1H4 (0.51) MAPTLMNAPOLBNR1H4SCN5A
SCHEMBL9713720 0.89 NR1H4 (0.51) MAPTLMNAPOLBNR1H4SCN5A
SCHEMBL9857411 0.89 NR1H4 (0.51) MAPTLMNAPOLBNR1H4TP53

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