SCHEMBL28346231

SCHEMBL28346231

CC(C)=C1CCCCCCC1C1CCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 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
SCHEMBL8599265 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL28799139 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL32665638 0.93 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL28459651 0.89 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL9747551 0.71 CHRNB2 (0.41) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL10426014 0.70 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL7572975 0.70 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4619843 0.70 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL5907206 0.70 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL10683142 0.70 UGT2B17 (0.31) KMT2A

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-110632207-B Method for identifying mold based on volatile gas components and evolution trend thereof 南京财经大学 2022-04-29 CN disclosed
CN-110632207-A Method for identifying mold based on volatile gas components and evolution trend thereof 南京财经大学 2019-12-31 CN disclosed