SCHEMBL8037153

SCHEMBL8037153

C=CCOc1ccc2cc(-c3ccc(/C=C/CCCC(C)O)cc3F)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.36
ABL1 P00519 1/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAOB P27338 2/20 0.32
PDE3B Q13370 1/20 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
SCHEMBL8037157 1.00 SRC (0.36) SRCABL1AKR1C3AKR1C2MEN1
SCHEMBL8054645 0.97 SRC (0.36) SRCABL1AKR1C3AKR1C2MEN1
SCHEMBL8054639 0.97 SRC (0.36) SRCABL1AKR1C3AKR1C2MEN1
SCHEMBL8036832 0.93 NPC1 (0.37) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8036837 0.93 NPC1 (0.37) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8048951 0.92 NPC1 (0.37) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8048947 0.92 NPC1 (0.37) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8047621 0.91 NPC1 (0.37) SRCABL1MEN1LMNAMAPT
SCHEMBL8047617 0.91 NPC1 (0.37) SRCABL1MEN1LMNAMAPT
SCHEMBL8054195 0.90 NPC1 (0.37) SRCABL1MEN1LMNAMAPT

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 3 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-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