SCHEMBL11948901

SCHEMBL11948901

CCCC1(OC(=O)COC(=O)C(C)CC)C2CC3CC(C2)CC1C3

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP17A1 P05093 1/20 0.30
CYP19A1 P11511 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11948905 0.92 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11948915 0.91 EPHX2 (0.33) ALDH1A1
SCHEMBL824303 0.91 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11948923 0.90 EPHX2 (0.33) ALDH1A1
SCHEMBL11948909 0.90 ALDH1A1 (0.33) ALDH1A1
SCHEMBL17789352 0.88 KMT2A (0.33) ALDH1A1CYP17A1CYP19A1KMT2ASMN1; SMN2
SCHEMBL11948904 0.87 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11948930 0.87 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13323574 0.86 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11948906 0.86 ALDH1A1 (0.33) ALDH1A1

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-8232039-B2 Polymer and resist composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-31 US disclosed
US-20100124719-A1 Polymer and Resist Composition Comprising the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-20 US disclosed