SCHEMBL27718136

SCHEMBL27718136

CC(CCCCl)COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 2/20 0.49
CYP2D6 P10635 2/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
SLC22A3 O75751 1/20 0.49
ESR1 P03372 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
DRD1 P21728 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL15029217 0.85 LMNA (0.53) LMNACYP2D6MAOAPTGS1MTNR1A
SCHEMBL6683927 0.85 LMNA (0.53) LMNACYP2D6MAOAPTGS1MTNR1A
SCHEMBL6686112 0.84 LMNA (0.52) LMNAALDH1A1SMN1; SMN2CYP2D6ESR1
SCHEMBL28949610 0.82 LTA4H (0.50) LMNAALDH1A1SMN1; SMN2ESR1CHRM2
SCHEMBL6679788 0.82 LTA4H (0.50) LMNAALDH1A1SMN1; SMN2ESR1CHRM2
SCHEMBL13385106 0.82 LMNA (0.68) LMNACYP2D6MAOAPTGS1MTNR1A
SCHEMBL6885224 0.80 LMNA (0.51) LMNAMAOAPTGS1ALOX15TDP1
SCHEMBL28730793 0.80 LTA4H (0.47) LMNAALDH1A1SMN1; SMN2ESR1CHRM2
SCHEMBL28730787 0.80 LTA4H (0.47) LMNAALDH1A1SMN1; SMN2ESR1CHRM2
SCHEMBL28730788 0.80 LTA4H (0.47) LMNAALDH1A1SMN1; SMN2ESR1CHRM2

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
CN-104812729-A Monomer, hard mask composition comprising the monomer, and method of forming pattern using the hard mask composition CHEIL IND INC 2015-07-29 CN disclosed
CN-101133022-A Substituted 2-pyrrolidone derivatives as fungicides and insecticides BAYER CROPSCIENCE AG (DE) 2008-02-27 CN disclosed