SCHEMBL8048374

SCHEMBL8048374

CCCCCOC(C)CCCC=Cc1ccc(-c2cnc3cc(O)ccc3n2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK10 P53779 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8048368 1.00 ALDH1A1 (0.35) ALDH1A1MAPTMEN1ALOX12MAPK10
SCHEMBL8046068 0.90 MEN1 (0.33) ALDH1A1MAPTMEN1ALOX12MAPK10
SCHEMBL8046062 0.90 MEN1 (0.33) ALDH1A1MAPTMEN1ALOX12MAPK10
SCHEMBL8047556 0.89 ESR1 (0.33)
SCHEMBL8047563 0.89 ESR1 (0.33)
SCHEMBL8051526 0.88 MEN1 (0.33) ALDH1A1MAPTMEN1ALOX12MAPK10
SCHEMBL8051521 0.88 MEN1 (0.33) ALDH1A1MAPTMEN1ALOX12MAPK10
SCHEMBL8036705 0.88 NPC1 (0.31) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL8054221 0.88 KDM4E (0.35) ALDH1A1MAPTKDM4ENPC1HPGD
SCHEMBL8036714 0.88 NPC1 (0.31) ALDH1A1MAPTMEN1KMT2ANPC1

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