SCHEMBL7048859

SCHEMBL7048859

CC(C)c1cc(C(C)(C)c2cc(C(C)C)c(OCCO)c(C(C)C)c2)cc(C(C)C)c1OCCO

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.37
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SRD5A2 P31213 1/20 0.33
GLRA1 P23415 1/20 0.33

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
SCHEMBL7907571 0.84 CYP3A4 (0.33) CYP3A4SMN1; SMN2SRD5A2GLRA1
SCHEMBL347238 0.79 RORC (0.44) RORCCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL347042 0.78 HTR1A (0.43) CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL2831476 0.75 MEN1 (0.40) ALDH1A1
SCHEMBL7045865 0.75 SMN1; SMN2 (0.38) CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL7042602 0.75 CYP3A4 (0.38) CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL25899 0.75 ALDH1A1 (0.54) CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL2834992 0.74 TP53 (0.39) ALDH1A1
SCHEMBL5873464 0.74 GABRA1 (0.50) CYP3A4ALDH1A1
SCHEMBL7048814 0.74 ALOX15 (0.37) CYP3A4SMN1; SMN2ALDH1A1

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-0751183-B1 Thermo-shrinkable polyester films TOYO BOSEKI (JP) 2003-04-09 EP disclosed
EP-0271928-B1 Thermo-shrinkable polyester film TOYO BOSEKI (JP) 1997-04-16 EP disclosed
EP-0751183-A2 A polyester composition used for thermoshrinkable films Toyo Boseki Kabushiki Kaisha (JP) 1997-01-02 EP disclosed
US-4996291-A Wrapping material TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-02-26 US disclosed