SCHEMBL13760102

SCHEMBL13760102

CC(C)CC(C(=O)OCc1ccc2cc(OCC(=O)OCC(F)(F)C(F)(F)F)ccc2c1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP17A1 P05093 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
XBP1 P17861 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RECQL P46063 1/20 0.33
ADAM17 P78536 1/20 0.33
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL13181052 0.88 ALDH1A1 (0.40) ALDH1A1CYP17A1CYP2C9CYP2C19KDM4E
SCHEMBL12236477 0.87 ALDH1A1 (0.36) ALDH1A1CYP17A1CYP2C9CYP2C19KDM4E
SCHEMBL10330470 0.84 ALDH1A1 (0.40) ALDH1A1CYP17A1CYP2C9CYP2C19KDM4E
SCHEMBL13181044 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL13762310 0.82 ALDH1A1 (0.36) ALDH1A1CYP17A1CYP2C9CYP2C19KDM4E
SCHEMBL13396224 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL10330472 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL13558202 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL2608026 0.77 ALDH1A1 (0.40) ALDH1A1CYP17A1CYP2C9CYP2C19KDM4E
SCHEMBL12235026 0.77 CYP2C9 (0.34) CYP17A1CYP2C9CYP2C19ADAM17HSD17B10

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
EP-2088466-A1 Resist composition for immersion exposure, method of forming resist pattern using the same, and fluorine-containing compound Tokyo Ohka Kogyo Co., Ltd. (JP) 2009-08-12 EP disclosed