SCHEMBL9712980

SCHEMBL9712980

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.54
CREBBP Q92793 7/20 0.52
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
SCN5A Q14524 2/20 0.46
SCN2A Q99250 2/20 0.46
BRD4 O60885 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
PLK1 P53350 1/20 0.46

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) NR1H4MAPTLMNAPOLBHDAC1
SCHEMBL9713717 0.92 NR1H4 (0.54) NR1H4CREBBPMAPTLMNAPOLB
SCHEMBL9713032 0.92 PLK1 (0.53) NR1H4MAPTLMNAPOLBHDAC1
SCHEMBL9857546 0.91 NR1H4 (0.52) NR1H4MAPTLMNAPOLBHDAC1
SCHEMBL9856932 0.90 MAPT (0.52) NR1H4MAPTLMNAPOLBHDAC1
SCHEMBL9857411 0.90 NR1H4 (0.51) NR1H4MAPTLMNAPOLBHDAC1
SCHEMBL9857326 0.90 NR1H4 (0.51) NR1H4MAPTLMNAPOLBHDAC1
SCHEMBL9713720 0.90 NR1H4 (0.51) NR1H4MAPTLMNAPOLBHDAC1
SCHEMBL9712885 0.90 NR1H4 (0.51) NR1H4MAPTLMNAPOLBHDAC1
SCHEMBL9857341 0.90 NR1H4 (0.51) NR1H4MAPTLMNAPOLBHDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US disclosed
US-5116853-A SRS-Antagonist, Antiallergens MASE TOSHIYASU (JP) 1992-05-26 US disclosed
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