SCHEMBL8047006

SCHEMBL8047006

C=CCOc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)OCCCCC)cn3)cc2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.32
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 4/20 0.31
HPGD P15428 4/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CASP3 P42574 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL8047001 1.00 AAK1 (0.32) AAK1KDM4EALDH1A1HPGDHTT
SCHEMBL8036462 0.97 AAK1 (0.31) AAK1KDM4EALDH1A1HPGDHTT
SCHEMBL8036466 0.97 AAK1 (0.31) AAK1KDM4EALDH1A1HPGDHTT
SCHEMBL8037164 0.96 KDM4E (0.32) AAK1KDM4EALDH1A1HPGDHTT
SCHEMBL8037161 0.96 KDM4E (0.32) AAK1KDM4EALDH1A1HPGDHTT
SCHEMBL8046045 0.94 KDM4E (0.30) AAK1KDM4EALDH1A1HPGDNPC1
SCHEMBL8046051 0.94 KDM4E (0.30) AAK1KDM4EALDH1A1HPGDNPC1
SCHEMBL8048957 0.92 S1PR1 (0.32) AAK1S1PR1
SCHEMBL8228111 0.92 S1PR1 (0.32) AAK1S1PR1
SCHEMBL8047636 0.92 S1PR1 (0.32) AAK1S1PR1

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