SCHEMBL13496151

SCHEMBL13496151

CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(C)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.36
CYP3A4 P08684 3/20 0.33
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ABCB1 P08183 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRB3 P13945 1/20 0.33
GABRA1 P14867 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 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
SCHEMBL13496174 0.92 HMGCR (0.36) HMGCRCYP3A4USP2ALDH1A1TSHR
SCHEMBL13496181 0.92 HMGCR (0.36) HMGCRCYP3A4USP2ALDH1A1TSHR
SCHEMBL13496180 0.91 HMGCR (0.35) HMGCRCYP3A4USP2ALDH1A1TSHR
SCHEMBL6368555 0.89 HMGCR (0.38) HMGCRCYP3A4USP2ALDH1A1TSHR
SCHEMBL18256385 0.89 HMGCR (0.35) HMGCRCYP3A4USP2ALDH1A1TSHR
SCHEMBL17853785 0.89 HMGCR (0.35) HMGCRCYP3A4USP2ALDH1A1TSHR
SCHEMBL47482 0.87 HMGCR (0.37) HMGCRCYP3A4USP2ALDH1A1TSHR
SCHEMBL10172821 0.86 HMGCR (0.34) HMGCRCYP3A4USP2ALDH1A1TSHR
SCHEMBL18199011 0.86 HMGCR (0.34) HMGCRCYP3A4USP2ALDH1A1TSHR
SCHEMBL6368509 0.85 HMGCR (0.36) HMGCRCYP3A4USP2ALDH1A1TSHR

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-9017917-B2 Resist composition and method of forming pattern therewith FUJIFILM CORPORATION (JP) 2015-04-28 US disclosed
US-20100028804-A1 RESIST COMPOSITION AND METHOD OF FORMING PATTERN THEREWITH FUJIFILM CORPORATION (JP) 2010-02-04 US disclosed