SCHEMBL722702

SCHEMBL722702

CC(C)CC(=O)CCCC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 1/20 0.38
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.33
LTA4H P09960 1/20 0.31
CES2 O00748 1/20 0.30
CA1 P00915 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
SCHEMBL13879345 0.88 ALDH1A1 (0.48) ALDH1A1TDP1CYP2C19CA2ACHE
SCHEMBL1667685 0.83 CES2 (0.39) LTA4HCES2
SCHEMBL15146907 0.79 TDP1 (0.41) TDP1LTA4HCES2
SCHEMBL11918238 0.78 ALDH1A1 (0.45) ALDH1A1TDP1ACHELTA4HCES2
SCHEMBL30851476 0.77 ALDH1A1 (0.39) ALDH1A1TDP1CYP2C19CA2ACHE
SCHEMBL17992598 0.77 CES2 (0.44) LTA4HCES2
SCHEMBL109110 0.77
SCHEMBL22644547 0.76 LTA4H (0.32) LTA4HCES2
SCHEMBL2527131 0.76 ALDH1A1 (0.42) ALDH1A1TDP1CYP2C19CA2ACHE
SCHEMBL9817218 0.76 ALDH1A1 (0.55) ALDH1A1TDP1CYP2C19CA2ACHE

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
WO-2012026621-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN THEREWITH FUJIFILM CORPORATION (JP) 2012-03-01 WO disclosed
WO-2011118853-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE SAME FUJIFILM CORPORATION (JP) 2011-09-29 WO disclosed