SCHEMBL9713012

SCHEMBL9713012

CCOC(=O)C=Cc1ccccc1NC(=O)c1ccc(OCCCOc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.52
MEN1 O00255 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CACNA1H O95180 3/20 0.49
CACNA1B Q00975 2/20 0.49
SNCA P37840 1/20 0.49
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 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
SCHEMBL9713020 1.00 PLK1 (0.52) PLK1MEN1RAB9AKMT2ANPC1
SCHEMBL9713103 0.91 NR1H4 (0.52) PLK1MEN1RAB9AKMT2ANPC1
SCHEMBL9713108 0.91 NR1H4 (0.52) PLK1MEN1RAB9AKMT2ANPC1
SCHEMBL29608536 0.83 SMN1; SMN2 (0.53) RAB9AKMT2ANPC1SMN1; SMN2SNCA
SCHEMBL9714007 0.77 NR1H4 (0.57) PLK1MEN1RAB9AKMT2ANPC1
SCHEMBL9714011 0.77 NR1H4 (0.57) PLK1MEN1RAB9AKMT2ANPC1
SCHEMBL8740665 0.76 MAPT (0.55) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL10749534 0.76 KMT2A (0.45) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL10749539 0.76 KMT2A (0.45) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL9713304 0.75 PLK1 (0.53) PLK1MEN1RAB9AKMT2ANPC1

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 4 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
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