SCHEMBL13558202

SCHEMBL13558202

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
XBP1 P17861 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FGFR1 P11362 1/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAOB P27338 2/20 0.33
FFAR1 O14842 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL13396224 0.91 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL12649561 0.88 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL10330472 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL12236477 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL13558194 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL13396215 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL13762310 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL13396217 0.81 GAA (0.39) ALDH1A1LMNAGAAMAPTNPC1
SCHEMBL10330470 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBLMNAGAA
SCHEMBL13181044 0.81 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBLMNAGAA

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-8367296-B2 Positive resist composition, method of forming resist pattern, and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2013-02-05 US disclosed
US-20120276481-A1 METHOD OF FORMING RESIST PATTERN AND NEGATIVE TONE-DEVELOPMENT RESIST COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2012-11-01 US disclosed