SCHEMBL13779558

SCHEMBL13779558

CCC(C)(C)C(=O)OCC(=O)OC1(C2CC2)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.33
CYP3A4 P08684 2/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SCN1A P35498 1/20 0.31

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
SCHEMBL13779551 0.96 CYP3A4 (0.35) HMGCRCYP3A4ABCB11LMNACYP1A2
SCHEMBL13779557 0.96 CYP3A4 (0.33) HMGCRCYP3A4ABCB11LMNACYP1A2
SCHEMBL13779570 0.96 CYP3A4 (0.35) HMGCRCYP3A4ABCB11LMNACYP1A2
SCHEMBL13779568 0.96 CYP3A4 (0.35) HMGCRCYP3A4ABCB11LMNACYP1A2
SCHEMBL13779549 0.95 HMGCR (0.35) HMGCRCYP3A4ABCB11LMNACYP1A2
SCHEMBL15978046 0.92 APOBEC3A (0.32) HMGCRCYP3A4LMNACYP1A2CYP2C9
SCHEMBL13779566 0.88 HMGCR (0.31) HMGCR
SCHEMBL12902875 0.86 HMGCR (0.32) HMGCRCYP3A4ABCB11LMNACYP1A2
SCHEMBL12014444 0.84 HMGCR (0.32) HMGCRCYP3A4ABCB11LMNACYP1A2
SCHEMBL12902889 0.82 HMGCR (0.31) HMGCR

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-7556908-B2 Chemically amplified positive resist composition, (meth)acrylate derivative and a process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-07 US disclosed
US-7232642-B2 Chemically amplified positive resist composition, a haloester derivative and a process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-19 US disclosed