SCHEMBL8049481

SCHEMBL8049481

CCCCCOC(C)CCCC=Cc1ccc(-c2ccc(-c3ccc(O)cc3)nc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
STAT3 P40763 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CASP3 P42574 2/20 0.31
SENP8 Q96LD8 2/20 0.31
SENP7 Q9BQF6 2/20 0.31
SENP6 Q9GZR1 2/20 0.31
NR5A1 Q13285 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
SCHEMBL8049476 1.00 RAB9A (0.39) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8036687 0.96 NPC1 (0.36) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8036683 0.96 NPC1 (0.36) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8037010 0.95 RAB9A (0.36) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8037014 0.95 RAB9A (0.36) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8036616 0.93 NPC1 (0.35) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8036610 0.93 NPC1 (0.35) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8054138 0.90 ESR2 (0.35) ALDH1A1NR5A1
SCHEMBL8051370 0.90 ESR2 (0.35) ALDH1A1NR5A1
SCHEMBL8054141 0.90 ESR2 (0.35) ALDH1A1NR5A1

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