SCHEMBL13843142

SCHEMBL13843142

CC(C)(c1ccc(C2COc3ccccc3C2)cc1)c1ccc(N2COc3ccccc3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TTR P02766 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
ALOX15 P16050 3/20 0.33
ALOX12 P18054 3/20 0.33
ALOX15B O15296 2/20 0.33
LMNA P02545 1/20 0.32
ROCK2 O75116 3/20 0.31
SIGMAR1 Q99720 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
SCHEMBL40426 0.86 RAB9A (0.38) ESR1ESR2ALOX15
SCHEMBL13843141 0.84 ESR1 (0.38) ESR1ESR2TTRNISCHALOX15
SCHEMBL13823374 0.83 ALDH1A1 (0.38) ESR1ESR2
SCHEMBL13933836 0.81 TSHR (0.40)
SCHEMBL15358723 0.79 NPC1 (0.42)
SCHEMBL13203365 0.79 RAB9A (0.40) LMNA
SCHEMBL13550842 0.77
SCHEMBL20126842 0.76 HRH3 (0.35) ESR1ESR2TTRALOX15ALOX12
SCHEMBL20932611 0.74 MEN1 (0.47) LMNA
SCHEMBL12162755 0.71 TSHR (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7537827-B1 Prepreg laminates HENKEL CORPORATION (US) 2009-05-26 US disclosed
US-7537827-B1 Prepreg laminates HENKEL CORPORATION (US) 2009-05-26 US disclosed