SCHEMBL19462018

SCHEMBL19462018

COC(=O)CCCCCC1(C)C(C)=[N+](CCCCCC(=O)O)c2ccc3c(C)cc(S(=O)(=O)[O-])cc3c21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL17483247 0.92 FOLH1 (0.36) FOLH1KDM4EMEN1ALDH1A1HPGD
SCHEMBL20223691 0.84 FOLH1 (0.34) FOLH1
SCHEMBL13566471 0.80 FOLH1 (0.33) FOLH1
SCHEMBL10090478 0.78 PKM (0.35) ALDH1A1PKM
SCHEMBL14883323 0.76 FOLH1 (0.42) FOLH1KDM4EMEN1ALDH1A1HPGD
SCHEMBL14883335 0.76 FOLH1 (0.42) FOLH1KDM4EMEN1ALDH1A1HPGD
SCHEMBL17483215 0.76 TSHR (0.36) KDM4EMEN1ALDH1A1KMT2AHSD17B10
Potassium Ion SCHEMBL4884512 0.74 FOLH1 (0.40) FOLH1
SCHEMBL10090494 0.73 FOLH1 (0.43) FOLH1
SCHEMBL17119896 0.73 FOLH1 (0.33) FOLH1ALDH1A1

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
US-20180156810-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2018-06-07 US disclosed
US-9791450-B2 Fluorescent compounds BIOTIUM, INC. (US) 2017-10-17 US disclosed