SCHEMBL9856987

SCHEMBL9856987

CCOC(=O)COc1ccccc1NC(=O)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
NR1H4 Q96RI1 1/20 0.53
CACNA1H O95180 4/20 0.52
PLK1 P53350 1/20 0.52
CACNA1B Q00975 3/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.50
RAB9A P51151 2/20 0.50
SCN5A Q14524 2/20 0.50
SCN2A Q99250 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.50
CYSLTR2 Q9NS75 3/20 0.49
CYSLTR1 Q9Y271 3/20 0.49
ABCB1 P08183 1/20 0.49

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) LMNAPOLBMAPTNR1H4PLK1
SCHEMBL9857546 0.90 NR1H4 (0.52) LMNAPOLBMAPTNR1H4PLK1
SCHEMBL9856859 0.90 NR1H4 (0.52) LMNAPOLBMAPTNR1H4CACNA1H
SCHEMBL9857365 0.90 NR1H4 (0.52) LMNAPOLBMAPTNR1H4PLK1
SCHEMBL9712980 0.90 NR1H4 (0.54) LMNAPOLBMAPTNR1H4PLK1
SCHEMBL9857326 0.89 NR1H4 (0.51) LMNAPOLBMAPTNR1H4PLK1
SCHEMBL9856932 0.89 MAPT (0.52) LMNAPOLBMAPTNR1H4PLK1
SCHEMBL9857411 0.89 NR1H4 (0.51) LMNAPOLBMAPTNR1H4PLK1
SCHEMBL9712885 0.89 NR1H4 (0.51) LMNAPOLBMAPTNR1H4PLK1
SCHEMBL9713720 0.89 NR1H4 (0.51) LMNAPOLBMAPTNR1H4CACNA1H

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