SCHEMBL8047075

SCHEMBL8047075

CC(O)CCCC=Cc1ccc2cc(-c3ccc(O)nc3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
FTO Q9C0B1 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP19A1 P11511 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
SCHEMBL8047067 1.00 HDAC1 (0.34) HDAC1HDAC8FTOPDE3BPDE3A
SCHEMBL8044232 0.88 HDAC3 (0.35) HDAC1HDAC8
SCHEMBL8044677 0.88 HDAC3 (0.35) HDAC1HDAC8
SCHEMBL8044683 0.88 HDAC3 (0.35) HDAC1HDAC8
SCHEMBL8044238 0.88 HDAC3 (0.35) HDAC1HDAC8
SCHEMBL8045627 0.86 HDAC1 (0.37) HDAC1HDAC8PDE3BPDE3AP2RY12
SCHEMBL8045626 0.86 HDAC1 (0.37) HDAC1HDAC8PDE3BPDE3AP2RY12
SCHEMBL8047051 0.84 ESR1 (0.41) HDAC1HDAC8CYP11B1CYP11B2
SCHEMBL8047048 0.84 ESR1 (0.41) HDAC1HDAC8CYP11B1CYP11B2
SCHEMBL8044534 0.84 FEN1 (0.37)

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