SCHEMBL8054086

SCHEMBL8054086

C=CCc1ccc(-c2ccc(C=CCCCC(C)O)cn2)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
GAA P10253 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 2/20 0.31
NFKB1 P19838 2/20 0.31
RAB9A P51151 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH2 P05091 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
SCHEMBL8054082 1.00 CYP11B1 (0.31) CYP11B1CYP11B2SMN1; SMN2GAAKDM4E
SCHEMBL8046021 0.93 KDM4E (0.32) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL8046026 0.93 KDM4E (0.32) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL8048632 0.93 NPC1 (0.34) SMN1; SMN2KDM4EALDH1A1MAPTNPC1
SCHEMBL8048629 0.93 NPC1 (0.34) SMN1; SMN2KDM4EALDH1A1MAPTNPC1
SCHEMBL8051045 0.93 CYP11B1 (0.35) CYP11B1CYP11B2SMN1; SMN2GAANPC1
SCHEMBL8051049 0.93 CYP11B1 (0.35) CYP11B1CYP11B2SMN1; SMN2GAANPC1
SCHEMBL8047603 0.91 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1MAPTNPC1
SCHEMBL8047598 0.91 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1MAPTNPC1
SCHEMBL8050852 0.90 FEN1 (0.33) CYP11B1CYP11B2SMN1; SMN2NPC1RAB9A

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