SCHEMBL8047071

SCHEMBL8047071

CC(O)CCCC=Cc1ccc(-c2ccc3cc(O)ccc3c2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.36
HSD17B1 P14061 3/20 0.34
HSD17B2 P37059 2/20 0.34
ESR2 Q92731 7/20 0.33
ESR1 P03372 6/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP19A1 P11511 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
STAT3 P40763 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 2/20 0.32
ABCB1 P08183 2/20 0.32
BCR P11274 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP17A1 P05093 1/20 0.32
TYR P14679 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
SCHEMBL8047061 1.00 FTO (0.36) FTOHSD17B1HSD17B2ESR2ESR1
SCHEMBL8046945 0.88 SMN1; SMN2 (0.41) HSD17B1HSD17B2NPC1MAPTSTAT3
SCHEMBL8046951 0.88 SMN1; SMN2 (0.41) HSD17B1HSD17B2NPC1MAPTSTAT3
SCHEMBL8035032 0.88 NPC1 (0.40) FTOHSD17B1ESR2ESR1NPC1
SCHEMBL8035031 0.88 NPC1 (0.40) FTOHSD17B1ESR2ESR1NPC1
SCHEMBL8052769 0.87 NPC1 (0.40) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8052766 0.87 NPC1 (0.40) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8049483 0.86 FTO (0.38) FTOHSD17B1HSD17B2ESR2ESR1
SCHEMBL8049486 0.86 FTO (0.38) FTOHSD17B1HSD17B2ESR2ESR1
SCHEMBL8046818 0.86 ESR1 (0.45) HSD17B1HSD17B2ESR2ESR1CYP11B1

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