SCHEMBL77848

SCHEMBL77848

CC(C)(C)CC(C)(C)c1cc(OCCO)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 2/20 0.41
PDIA6 Q15084 1/20 0.41
MDH1 P40925 3/20 0.41
MDH2 P40926 3/20 0.41
ADRB2 P07550 1/20 0.39
NR1I2 O75469 2/20 0.39
RECQL P46063 1/20 0.37
CA1 P00915 2/20 0.36
MAOA P21397 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 2/20 0.36
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11782751 0.85 NR5A1 (0.51) CYP3A4SMN1; SMN2PDIA6GAAXBP1
SCHEMBL11738844 0.85 NR5A1 (0.51) CYP3A4SMN1; SMN2PDIA6GAAXBP1
SCHEMBL11799605 0.84 ALDH1A1 (0.43) CYP3A4SMN1; SMN2ALDH1A1MDH1MDH2
SCHEMBL7823292 0.84 ALDH1A1 (0.53) CYP3A4SMN1; SMN2ALDH1A1NR1I2RECQL
SCHEMBL221405 0.81 ALDH1A1 (0.51) CYP3A4SMN1; SMN2ALDH1A1RECQLCA1
SCHEMBL31216411 0.80 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1PDIA6ADRB2NR1I2
SCHEMBL3480596 0.80 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1PDIA6ADRB2NR1I2
SCHEMBL9519087 0.78 GAA (0.46) ALDH1A1PDIA6ADRB2CA1CA2
SCHEMBL31216405 0.77 ALDH1A1 (0.49) ALDH1A1PDIA6ADRB2NR1I2GAA
SCHEMBL38658565 0.76 ALDH1A1 (0.48) CYP3A4SMN1; SMN2ALDH1A1NR1I2GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160290036-A1 HEAT-SHIELDING MATERIAL AND WINDOW GLASS FUJIFILM CORPORATION (JP) 2016-10-06 US disclosed
US-20160290036-A1 HEAT-SHIELDING MATERIAL AND WINDOW GLASS FUJIFILM CORPORATION (JP) 2016-10-06 US disclosed
US-8129308-B2 Thermal transfer image-receiving sheet and surface condition improver FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8129308-B2 Thermal transfer image-receiving sheet and surface condition improver FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20090011154-A1 THERMAL TRANSFER IMAGE-RECEIVING SHEET AND SURFACE CONDITION IMPROVER FUJIFILM CORPORATION (JP) 2009-01-08 US disclosed
US-20090011154-A1 THERMAL TRANSFER IMAGE-RECEIVING SHEET AND SURFACE CONDITION IMPROVER FUJIFILM CORPORATION (JP) 2009-01-08 US disclosed