SCHEMBL8036809

SCHEMBL8036809

C=CCOc1ccc2cc(-c3ncc(C=CCCCC(C)O)cn3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.40
ABL1 P00519 1/20 0.40
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
CASR P41180 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL8036804 1.00 SRC (0.40) SRCABL1PDE3BPDE3AP2RY12
SCHEMBL8046302 0.91 CYP2D6 (0.39) SRCABL1CYP2D6NPC1TP53
SCHEMBL8046297 0.91 CYP2D6 (0.39) SRCABL1CYP2D6NPC1TP53
SCHEMBL7560609 0.90 SRC (0.40) SRCABL1CA12CA1CA9
SCHEMBL7560615 0.90 SRC (0.40) SRCABL1CA12CA1CA9
SCHEMBL8046542 0.89 CYP2D6 (0.34) SRCABL1CYP2D6NPC1TP53
SCHEMBL8046533 0.89 CYP2D6 (0.34) SRCABL1CYP2D6NPC1TP53
SCHEMBL8051138 0.88 SRC (0.40) SRCABL1PDE3BPDE3AP2RY12
SCHEMBL8051139 0.88 SRC (0.40) SRCABL1PDE3BPDE3AP2RY12
SCHEMBL8036670 0.88 SRC (0.39) SRCABL1PDE3BPDE3AP2RY12

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