SCHEMBL13855992

SCHEMBL13855992

C[C@@H](C1CCCCC1)C(C)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
SHBG P04278 1/20 0.34
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EPHX1 P07099 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
SCHEMBL13855996 0.98 PDK1 (0.33) PDK1PDK2PDK3PDK4SHBG
SCHEMBL13159748 0.80 PDK1 (0.43) PDK1PDK2PDK3PDK4SHBG
SCHEMBL14230447 0.80 PDK1 (0.43) PDK1PDK2PDK3PDK4SHBG
SCHEMBL19829294 0.78 PDK1 (0.42) PDK1PDK2PDK3PDK4SHBG
SCHEMBL17835211 0.78 SHBG (0.39) PDK1PDK2PDK3PDK4SHBG
SCHEMBL16864640 0.78 SHBG (0.39) PDK1PDK2PDK3PDK4SHBG
SCHEMBL14230446 0.77 PDK1 (0.40) PDK1PDK2PDK3PDK4SHBG
SCHEMBL14204533 0.77 PDK1 (0.40) PDK1PDK2PDK3PDK4SHBG
SCHEMBL17835213 0.75 SHBG (0.35) SHBG
SCHEMBL11101108 0.71 SHBG (0.37) PDK1PDK2PDK3PDK4SHBG

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-7537880-B2 Polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-05-26 US disclosed
US-20080118860-A1 Polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-05-22 US disclosed