SCHEMBL28062140

SCHEMBL28062140

C=CC(=O)NCC1COCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
ALOX12 P18054 1/20 0.34
MEN1 O00255 2/20 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
SCHEMBL183843 0.86
Bicarbonate SCHEMBL7800899 0.82 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAMAPTTSHR
SCHEMBL21813824 0.79 MAPT (0.46) ALDH1A1KMT2AMAPTMAPK1KDM4E
SCHEMBL14780157 0.78 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAMAPTTSHR
SCHEMBL368181 0.78 SMN1; SMN2 (0.58) ALDH1A1KMT2ALMNAMAPTKDM4E
SCHEMBL15500189 0.77 MTNR1A (0.46) ALDH1A1MAPTMAPK1KDM4EFPR3
SCHEMBL15753734 0.77 SMN1; SMN2 (0.53) ALDH1A1KMT2AMAPTKDM4EUSP2
SCHEMBL24961896 0.76
SCHEMBL24961839 0.75
SCHEMBL21252452 0.75 ALDH1A1 (0.41) ALDH1A1KMT2ALMNATSHRMAPK1

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-104220258-B Polyester film, method for producing same, back sheet for solar cell, and solar cell module 富士胶片株式会社 2016-06-08 CN disclosed