SCHEMBL8049151

SCHEMBL8049151

C=CCc1ccc2nc(/C=C/CCCC(C)O)ncc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
XDH P47989 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH2 P05091 1/20 0.30
GABRA1 P14867 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL8049156 1.00 PDE3B (0.35) PDE3BPDE3AP2RY12MEN1KMT2A
SCHEMBL8048793 0.92 PDE3B (0.35) PDE3BPDE3AP2RY12ALOX5
SCHEMBL8048788 0.92 PDE3B (0.35) PDE3BPDE3AP2RY12ALOX5
SCHEMBL8045936 0.88 ALOX5 (0.33) PDE3BPDE3AP2RY12GABRA1CNR1
SCHEMBL8045940 0.88 ALOX5 (0.33) PDE3BPDE3AP2RY12GABRA1CNR1
SCHEMBL8051440 0.84 PDE3B (0.43) PDE3BPDE3AP2RY12MEN1KMT2A
SCHEMBL8051435 0.84 PDE3B (0.43) PDE3BPDE3AP2RY12MEN1KMT2A
SCHEMBL8052807 0.83 PDE3B (0.38) PDE3BPDE3AP2RY12MAPT
SCHEMBL8052810 0.83 PDE3B (0.38) PDE3BPDE3AP2RY12MAPT
SCHEMBL8036308 0.82 PDE3B (0.33) PDE3BPDE3AP2RY12

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
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed