SCHEMBL9712873

SCHEMBL9712873

COc1cc(C(N)=O)ccc1OCCCCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.76
PDE4B Q07343 5/20 0.76
PDE4C Q08493 5/20 0.76
PDE4D Q08499 5/20 0.76
MAPK1 P28482 1/20 0.60
KMT2A Q03164 2/20 0.59
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
PRSS1 P07477 4/20 0.56
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51

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
SCHEMBL7153812 0.87 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7376634 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6584958 0.85 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL17844309 0.84 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL30622576 0.84 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4278415 0.84 NPC1 (0.73) MAPK1KMT2ANPC1RAB9AHPGD
SCHEMBL6942928 0.84 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8068426 0.82 MAPK1 (0.68) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL23630666 0.81 MAPK1 (0.71) PDE4BMAPK1PRSS1TSHR
SCHEMBL598033 0.81 MAPK1 (0.71) PDE4BMAPK1PRSS1TSHR

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