SCHEMBL8052899

SCHEMBL8052899

CC(O)CCC/C=C/c1ccc2cc(-c3ccc(O)cc3F)ncc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC8 Q9BY41 2/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
KDM1A O60341 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TYR P14679 2/20 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
SCHEMBL8052906 1.00 NPC1 (0.37) NPC1RAB9AESR1ESR2L3MBTL1
SCHEMBL8052688 0.96 NPC1 (0.39) NPC1RAB9AESR1ESR2L3MBTL1
SCHEMBL8052694 0.96 NPC1 (0.39) NPC1RAB9AESR1ESR2L3MBTL1
SCHEMBL8045542 0.88 TYR (0.34) ESR1ESR2FGFR1FGFR2ALOX5AP
SCHEMBL8045545 0.88 TYR (0.34) ESR1ESR2FGFR1FGFR2ALOX5AP
SCHEMBL8049771 0.86 NPC1 (0.33) NPC1RAB9AL3MBTL1HDAC1HDAC8
SCHEMBL8049773 0.86 NPC1 (0.33) NPC1RAB9AL3MBTL1HDAC1HDAC8
SCHEMBL8052107 0.86 NPC1 (0.34) NPC1RAB9AL3MBTL1
SCHEMBL8052109 0.86 NPC1 (0.34) NPC1RAB9AL3MBTL1
SCHEMBL8049584 0.86 ESR1 (0.52) ESR1ESR2FGFR1FGFR2HDAC1

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