SCHEMBL8048313

SCHEMBL8048313

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc(-c3cnc(O)nc3)cc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
PTPN11 Q06124 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL8048314 1.00 RARA (0.31) RARARARBPTPN11ALDH1A1CNR1
SCHEMBL8054531 0.99 ALDH1A1 (0.31) RARARARBALDH1A1CNR1CNR2
SCHEMBL8054534 0.99 ALDH1A1 (0.31) RARARARBALDH1A1CNR1CNR2
SCHEMBL8054266 0.92 ALDH1A1 (0.32) RARARARBPTPN11ALDH1A1CNR1
SCHEMBL8054268 0.92 ALDH1A1 (0.32) RARARARBPTPN11ALDH1A1CNR1
SCHEMBL8048919 0.91 ALDH1A1 (0.32) ALDH1A1CNR1CNR2
SCHEMBL8048927 0.91 ALDH1A1 (0.32) ALDH1A1CNR1CNR2
SCHEMBL8053942 0.90 NPC1 (0.33)
SCHEMBL8047027 0.90 PPARG (0.32)
SCHEMBL8047030 0.90 PPARG (0.32)

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 3 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-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