SCHEMBL16202246

SCHEMBL16202246

CC(=O)NCCCCOCCOCCOCCOCCOCCOCCOCCOS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MMP9 P14780 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
PAOX Q6QHF9 3/20 0.42
ADRA1A P35348 1/20 0.41
EPHX2 P34913 8/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MTNR1A P48039 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL13056649 1.00 KDM4E (0.48) KDM4EMAPK1HIF1AUSP2ALDH1A1
SCHEMBL11840924 0.84 TSHR (0.54) KDM4EMAPK1HIF1AUSP2ALDH1A1
SCHEMBL14524171 0.81 ALDH1A1 (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL22340557 0.80 KDM4E (0.64) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL3706965 0.80 ALDH1A1 (0.46) KDM4EMAPK1HIF1AUSP2ALDH1A1
SCHEMBL5693542 0.80 KDM4E (0.61) KDM4EMAPK1HIF1AALDH1A1TSHR
SCHEMBL5572140 0.79 TDP1 (0.55) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL16202243 0.79 MAPK1 (0.56) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL21070696 0.78 TSHR (0.67) KDM4EMAPK1USP2ALDH1A1LMNA
SCHEMBL13056651 0.77 ALDH1A1 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9

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-9719986-B2 Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2017-08-01 US disclosed
US-20140323336-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2014-10-30 US disclosed