SCHEMBL13645268

SCHEMBL13645268

CCC(C)C(=O)OC1(C2CCCO2)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 2/20 0.31
LMNA P02545 2/20 0.31
ABCB11 O95342 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

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
SCHEMBL12216113 0.99 HTT (0.35) HTTLMNATSHRNPSR1POLB
SCHEMBL9927422 0.79 ALDH1A1 (0.33) LMNACYP2C9TSHR
SCHEMBL6367188 0.79 CYP3A4 (0.40) MEN1KMT2ACYP3A4LMNAABCB11
SCHEMBL2618681 0.79 CYP3A4 (0.40) MEN1KMT2ACYP3A4LMNAABCB11
SCHEMBL6367205 0.79 CYP3A4 (0.40) MEN1KMT2ACYP3A4LMNAABCB11
SCHEMBL13645109 0.77 ABCB11 (0.30) CYP3A4LMNAABCB11CYP1A2CHRM2
SCHEMBL9927413 0.77 PRKCA (0.32) LMNACYP1A2TSHR
SCHEMBL6367040 0.77 CYP3A4 (0.38) MEN1KMT2ACYP3A4LMNAABCB11
SCHEMBL13645217 0.76
SCHEMBL12216115 0.76

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-7601479-B2 Polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-10-13 US disclosed
US-7598015-B2 Polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-10-06 US disclosed