SCHEMBL8045930

SCHEMBL8045930

C=CCc1ccc(-c2ccc(C=CCCCC(C)O)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
ALOX5 P09917 3/20 0.33
KIF11 P52732 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8045927 1.00 PTGS2 (0.35) PTGS2ALOX5KIF11GABRA1GABRB2
SCHEMBL8051099 1.00 PTGS2 (0.35) PTGS2ALOX5KIF11GABRA1GABRB2
SCHEMBL8051096 1.00 PTGS2 (0.35) PTGS2ALOX5KIF11GABRA1GABRB2
SCHEMBL8048169 0.91 ALOX5 (0.33) PTGS2ALOX5GABRA1GABRB2KDM4E
SCHEMBL8048175 0.91 ALOX5 (0.33) PTGS2ALOX5GABRA1GABRB2KDM4E
SCHEMBL8046187 0.90 KDM4E (0.30) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL8046184 0.90 KDM4E (0.30) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL8047649 0.89 NPC1 (0.31) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL8045710 0.89 NPC1 (0.33) PTGS2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL8051429 0.89 NPC1 (0.33) SMN1; SMN2

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