SCHEMBL28255157

SCHEMBL28255157

CCCCC(CC)C(CC)NCC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 5/20 0.32
CA1 P00915 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 2/20 0.32
SLC2A1 P11166 1/20 0.32
MAPK1 P28482 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
SCHEMBL9207449 0.81 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4DNM1
SCHEMBL14623987 0.78 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4DNM1SLC2A1
SCHEMBL23029141 0.77 OPRM1 (0.36) ALDH1A1TSHRCYP3A4DNM1SLC2A1
SCHEMBL13311932 0.77 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4TDP1CA2
SCHEMBL22788210 0.76 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4TDP1CA2
SCHEMBL28023562 0.74 ALDH1A1 (0.38) ALDH1A1TSHRCYP3A4TDP1CA2
SCHEMBL11817761 0.74 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4TDP1CA2
SCHEMBL11818913 0.72 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4TDP1CA2
SCHEMBL20808595 0.71 DNM1 (0.35) ALDH1A1TSHRCYP3A4TDP1CA2
SCHEMBL10812401 0.71 AOC3 (0.39) ALDH1A1TSHRCYP3A4TDP1CA2

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
CN-107502741-B A kind of compound extracting system and its extracting process for extracting lithium from brine containing lithium 中国科学院过程工程研究所 2018-11-27 CN claimed