SCHEMBL8054476

SCHEMBL8054476

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc(O)cn2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.31
NR5A1 Q13285 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
STAT3 P40763 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 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
SCHEMBL8054478 1.00 DEGS1 (0.31) DEGS1NR5A1NPC1MAPTSTAT3
SCHEMBL8036748 0.94 NPC1 (0.36) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8036746 0.94 NPC1 (0.36) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8054027 0.93 NPC1 (0.34) NR5A1NPC1MAPTSTAT3RAB9A
SCHEMBL8054030 0.93 NPC1 (0.34) NR5A1NPC1MAPTSTAT3RAB9A
SCHEMBL8051256 0.91 RAB9A (0.39) NR5A1NPC1MAPTSTAT3RAB9A
SCHEMBL8051259 0.91 RAB9A (0.39) NR5A1NPC1MAPTSTAT3RAB9A
SCHEMBL8054404 0.90 ALDH1A1 (0.31) ALDH1A1CNR1CNR2
SCHEMBL8054405 0.90 ALDH1A1 (0.31) ALDH1A1CNR1CNR2
SCHEMBL8036705 0.88 NPC1 (0.31) NPC1MAPTRAB9AALDH1A1CNR2

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