SCHEMBL8049254

SCHEMBL8049254

C=CCc1ccc2cc(C=CCCCC(C)O)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
XDH P47989 1/20 0.35
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
ALDH2 P05091 1/20 0.34
AKR1B1 P15121 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL8049250 1.00 HDAC1 (0.37) HDAC1HDAC8XDHALDH1A1SMN1; SMN2
SCHEMBL8046474 0.91 PTGS2 (0.35) HDAC1HDAC8ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8051878 0.91 PTGS2 (0.37) HDAC1HDAC8XDHALDH1A1SMN1; SMN2
SCHEMBL8051883 0.91 PTGS2 (0.37) HDAC1HDAC8XDHALDH1A1SMN1; SMN2
SCHEMBL8046477 0.91 PTGS2 (0.35) HDAC1HDAC8ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8600637 0.88 HDAC1 (0.34) HDAC1HDAC8XDHALDH1A1SMN1; SMN2
SCHEMBL8600638 0.88 HDAC1 (0.34) HDAC1HDAC8XDHALDH1A1SMN1; SMN2
SCHEMBL8054392 0.87 ALOX5 (0.34) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL8036664 0.87 ALOX5 (0.34) HDAC1HDAC8ALDH1A1KDM4EMEN1
SCHEMBL8054386 0.87 ALOX5 (0.34) ALDH1A1KDM4EMEN1GAAMAPT

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