SCHEMBL13126133

SCHEMBL13126133

C#CC1(OC(=O)C(C)(C)CC)c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ITGA4 P13612 1/20 0.38
PDK2 Q15119 12/20 0.34
RIPK1 Q13546 3/20 0.33
APEX1 P27695 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL13126124 0.80 ALDH1A1 (0.38) ALDH1A1MAPTITGA4PDK2RIPK1
SCHEMBL19335202 0.79 ELANE (0.36) ALDH1A1MAPTITGA4PDK2TDP1
SCHEMBL25834055 0.78 ALDH1A1 (0.40) ALDH1A1MAPTITGA4PDK2RIPK1
SCHEMBL13126137 0.76 SLC6A1 (0.40) ALDH1A1MAPTITGA4RIPK1APEX1
SCHEMBL13126131 0.75 ALDH1A1 (0.35) ALDH1A1MAPTITGA4PDK2RIPK1
SCHEMBL2777235 0.72 ELANE (0.38) ALDH1A1MAPTITGA4PDK2APEX1
SCHEMBL18826319 0.71 MAPT (0.36) ALDH1A1MAPTPDK2KDM4E
SCHEMBL9610535 0.67 ELANE (0.35) ALDH1A1MAPTITGA4APEX1TDP1
SCHEMBL24602989 0.66 CYP2C9 (0.46) ALDH1A1MAPTPDK2TDP1
SCHEMBL10064127 0.66 MEN1 (0.40) ALDH1A1RIPK1

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-8450042-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-28 US disclosed
US-20100227274-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-09-09 US disclosed