SCHEMBL11838533

SCHEMBL11838533

O=C(CCC1CC1)OC/C=C/C1CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CASP1 P29466 1/20 0.39
LMNA P02545 1/20 0.38
KLK7 P49862 3/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
MIF P14174 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CACNA1B Q00975 1/20 0.34

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
SCHEMBL11838539 1.00 MAPT (0.41) MAPTMEN1KMT2AATMCASP1
SCHEMBL11828719 1.00 MAPT (0.41) MAPTMEN1KMT2AATMCASP1
SCHEMBL11828728 1.00 MAPT (0.41) MAPTMEN1KMT2AATMCASP1
SCHEMBL11829667 0.95 ALDH1A1 (0.37) MAPTMEN1KMT2AATMCASP1
SCHEMBL11829672 0.95 ALDH1A1 (0.37) MAPTMEN1KMT2AATMCASP1
SCHEMBL11847842 0.88 ALDH1A1 (0.39) LMNAALDH1A1HPGDGAATDP1
SCHEMBL11847848 0.88 ALDH1A1 (0.39) LMNAALDH1A1HPGDGAATDP1
SCHEMBL11828508 0.88 ALDH1A1 (0.38) LMNAALDH1A1HPGDGAATDP1
SCHEMBL11828504 0.88 ALDH1A1 (0.38) LMNAALDH1A1HPGDGAATDP1
SCHEMBL11854308 0.87 ALDH1A1 (0.37) ALDH1A1HPGDGAATDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed