SCHEMBL28264607

SCHEMBL28264607

CCc1cccc(CC)c1NC(=O)CCCl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
THRB P10828 1/20 0.54
CACNA1C Q13936 2/20 0.50
SCN5A Q14524 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.46
NLRP3 Q96P20 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
F2R P25116 1/20 0.46

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
SCHEMBL6769239 0.85 SMN1; SMN2 (0.59) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL10588657 0.81 ALOX15 (0.62) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL6924499 0.80 HDAC3 (0.65) ALOX15CYP2C19SCN5APOLBALDH1A1
SCHEMBL21820780 0.79 CYP2C19 (0.60) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL10713087 0.79 ALOX15 (0.53) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL27877978 0.78 SMN1; SMN2 (0.51) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL10681437 0.78 MEN1 (0.49) ALDH1A1KDM4ENLRP3MAPT
SCHEMBL23388356 0.78 CYP2C19 (0.58) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL11142972 0.78 ALOX15 (0.58) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL10392123 0.78 ALOX15 (0.58) ALOX15TSHRCYP2C19HIF1ATDP1

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-109019811-A A kind of pulping wastewater treatment flocculant and preparation method thereof based on Organic Iron 师帅帅 2018-12-18 CN claimed