SCHEMBL8036628

SCHEMBL8036628

CCCCCOC(C)CCCC=Cc1ccc(-c2ccc(O)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.37
LTA4H P09960 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
STAT3 P40763 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RARB P10826 3/20 0.33
LTB4R Q15722 1/20 0.32
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
ALDH2 P05091 1/20 0.32

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
SCHEMBL8054123 1.00 NR5A1 (0.37) NR5A1LTA4HABCG2ALDH1A1CNR1
SCHEMBL8054120 1.00 NR5A1 (0.37) NR5A1LTA4HABCG2ALDH1A1CNR1
SCHEMBL8036620 1.00 NR5A1 (0.37) NR5A1LTA4HABCG2ALDH1A1CNR1
SCHEMBL8046403 0.90 NR5A1 (0.38) NR5A1LTA4HABCG2ALDH1A1CNR1
SCHEMBL8046408 0.90 NR5A1 (0.38) NR5A1LTA4HABCG2ALDH1A1CNR1
SCHEMBL8036688 0.90 NR5A1 (0.38) NR5A1LTA4HABCG2ALDH1A1CNR1
SCHEMBL8036685 0.90 NR5A1 (0.38) NR5A1LTA4HABCG2ALDH1A1CNR1
SCHEMBL8047711 0.90 FTO (0.39) NR5A1LTA4HCNR1CNR2LTB4R
SCHEMBL8047714 0.90 FTO (0.39) NR5A1LTA4HCNR1CNR2LTB4R
SCHEMBL8046991 0.89 RARB (0.34) ALDH1A1CNR1CNR2RARBESR1

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