SCHEMBL8053968

SCHEMBL8053968

CCCCCOC(C)CCCC=Cc1ccc(-c2ccc3cc(O)ccc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
ESR1 P03372 6/20 0.37
ESR2 Q92731 6/20 0.37
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
TNNC1 P63316 1/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 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
SCHEMBL8053964 1.00 ABCG2 (0.38) ABCG2ESR1ESR2ABL1ABCB1
SCHEMBL8051404 0.94 ABCG2 (0.38) ABCG2ESR1ESR2
SCHEMBL8051409 0.94 ABCG2 (0.38) ABCG2ESR1ESR2
SCHEMBL8047468 0.91 ABCG2 (0.38) ABCG2TNNC1
SCHEMBL8047462 0.91 ABCG2 (0.38) ABCG2TNNC1
SCHEMBL8047980 0.90 ABCG2 (0.43) ABCG2TNNC1
SCHEMBL8051750 0.90 ABCG2 (0.43) ABCG2TNNC1
SCHEMBL8051746 0.90 ABCG2 (0.43) ABCG2TNNC1
SCHEMBL8047975 0.90 ABCG2 (0.43) ABCG2TNNC1
SCHEMBL8048880 0.88 RAB9A (0.36) ABCG2ESR1ESR2

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