SCHEMBL8048458

SCHEMBL8048458

C=CCOc1ccc2cc(-c3ccc(C=CCCCC(C)O)c(F)c3)ncc2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 4/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
MAOB P27338 2/20 0.35
SRC P12931 2/20 0.34
ABL1 P00519 1/20 0.34
MAPT P10636 6/20 0.33
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CASR P41180 1/20 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
SCHEMBL8048455 1.00 PDE3B (0.36) PDE3BPDE3AP2RY12NPC1RAB9A
SCHEMBL8049314 0.90 MAPT (0.43) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8049309 0.90 MAPT (0.43) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8036570 0.90 GPR119 (0.35) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8036579 0.90 GPR119 (0.35) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8046964 0.90 SRC (0.38) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8046970 0.90 SRC (0.38) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8051338 0.89 APP (0.38) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8051345 0.89 APP (0.38) PDE3BPDE3AP2RY12MAOBSRC
SCHEMBL8036697 0.88 MAOB (0.33) PDE3BPDE3AP2RY12MAOBMAPT

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