SCHEMBL9880585

SCHEMBL9880585

CCC(C)C(=O)Oc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.42
ACACB O00763 3/20 0.41
PPARA Q07869 2/20 0.40
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
ESR1 P03372 1/20 0.39
HIF1A Q16665 1/20 0.39
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL14627817 0.95 MAPT (0.40) ELANEACACBPPARAABCB11CYP1A2
SCHEMBL14612372 0.94 ACACB (0.43) ELANEACACBPPARAABCB11CYP1A2
SCHEMBL14627815 0.93 KDM4E (0.41) ELANEACACBPPARAABCB11CYP1A2
SCHEMBL18056747 0.90 ACACB (0.36) ELANEACACBPPARAABCB11CYP1A2
SCHEMBL18056742 0.88 EPHX2 (0.38) ELANEACACBPPARAABCB11CYP1A2
SCHEMBL14827265 0.87 ELANE (0.40) ELANEPPARAABCB11CYP1A2CYP3A4
SCHEMBL18056722 0.87 FFAR1 (0.44) ELANEACACBTSHRESR1HIF1A
SCHEMBL18056749 0.85 ACACB (0.33) ELANEACACBPPARAABCB11CYP1A2
SCHEMBL12908766 0.85 ESR1 (0.40) ELANEACACBPPARAABCB11CYP1A2
SCHEMBL13265284 0.84 ESR1 (0.39) ELANEACACBPPARAABCB11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9052590-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
US-8703384-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-22 US disclosed
US-20130101936-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-04-25 US disclosed
US-20120164577-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-28 US disclosed
US-20120156618-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120135350-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-31 US disclosed