SCHEMBL9621060

SCHEMBL9621060

CCCOc1cc2c(cc1OCCC)CC[C]=C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
PDE4B Q07343 1/20 0.33
GLA P06280 2/20 0.33
MAOA P21397 2/20 0.33
CSNK2A1 P68400 2/20 0.31
HTR2C P28335 5/20 0.31
HTR2B P41595 5/20 0.31

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
SCHEMBL9620992 0.94 HTR2A (0.33) MAPTHSD17B10KDM4EALDH1A1PDE4B
SCHEMBL9620752 0.90 PDE4B (0.34) MAPTHSD17B10KDM4EALDH1A1MEN1
SCHEMBL9620907 0.88 ACHE (0.41) MAPTHSD17B10KDM4EALDH1A1MEN1
SCHEMBL10345463 0.87 KDM4E (0.34) KDM4EALDH1A1POLBGLAMAOA
SCHEMBL9620922 0.85 PDE4B (0.41) MAPTHSD17B10KDM4EALDH1A1PDE4B
SCHEMBL9620956 0.84 HTR2A (0.32) PDE4BHTR2CHTR2BHTR2A
SCHEMBL9621094 0.80 HTR2A (0.39) KDM4EALDH1A1PDE4BGLAMAOA
SCHEMBL9620977 0.79 MAOA (0.47) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL9621237 0.79 ACHE (0.39) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL9621104 0.78 SLC2A1 (0.40) MAPTHSD17B10KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed