SCHEMBL7948439

SCHEMBL7948439

Cc1cccc(C2(c3cccc(C)c3-c3ccc(O)cc3C(C)(C)C)CCCCC2)c1-c1ccc(O)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.38
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
MIF P14174 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ESR2 Q92731 5/20 0.35
ESR1 P03372 4/20 0.35
ACHE P22303 1/20 0.34
PGR P06401 1/20 0.33
ANPEP P15144 1/20 0.32
DPP4 P27487 1/20 0.32
HTR7 P34969 1/20 0.31

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
SCHEMBL3979932 0.77 ALDH1A1 (0.46) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL7946600 0.76 GABRA1 (0.47) PDK2NR1I2ALDH1A1LMNACYP2C9
SCHEMBL29849129 0.76 ESR1 (0.44) ALDH1A1LMNAALOX15HTTHSD17B10
SCHEMBL7948441 0.75 ESR2 (0.54) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL18457538 0.72 PDK2 (0.42) PDK2PGRHTR7HTR2BPDE7A
SCHEMBL7948453 0.71 GABRA1 (0.42) NR1I2ALDH1A1LMNACYP2C9MIF
SCHEMBL23581823 0.68 ACHE (0.48) ALDH1A1HSD17B10GABRA1GABRB2ESR2
SCHEMBL2163898 0.68 ESR2 (0.49) LMNAESR2ESR1ACHEPGR
SCHEMBL9106121 0.68 ESR2 (0.49) LMNAESR2ESR1ACHEPGR
SCHEMBL7848525 0.68 ALDH1A1 (0.57) NR1I2ALDH1A1LMNACYP2C9MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258498-B1 POLYCARBONATE PROTECTIVE COATING CANON KABUSHIKI KAISHA (JP) 2001-07-10 US disclosed