SCHEMBL874662

SCHEMBL874662

CCCO[C](CC)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.38
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MAPT P10636 1/20 0.31
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 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
SCHEMBL7831600 0.91 HCAR2 (0.37) SOAT1ALDH1A1LMNAHSD17B10HCAR2
SCHEMBL25093 0.85
SCHEMBL6185868 0.81 ALDH1A1 (0.48) ALDH1A1LMNAHCAR2CA12CA1
SCHEMBL10766507 0.77 ALDH1A1 (0.35) ALDH1A1HSD17B10HCAR2TSHR
SCHEMBL9720411 0.74 ALDH1A1 (0.52) ALDH1A1LMNAHCAR2CA12CA1
SCHEMBL617869 0.71 ALDH1A1 (0.38) SOAT1ALDH1A1LMNAHSD17B10HCAR2
SCHEMBL2987347 0.71 ALDH1A1 (0.43) ALDH1A1MAPTTSHR
SCHEMBL3563782 0.71
SCHEMBL887113 0.70 NAAA (0.60) ALDH1A1LMNAHCAR2CA12CA1
SCHEMBL391505 0.70 NAAA (0.60) ALDH1A1LMNAHCAR2CA12CA1

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
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 EP disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed