SCHEMBL9857947

SCHEMBL9857947

CC(O)CN(CC(C)O)CC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.33
TSHR P16473 3/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL15512197 0.80 KDM4E (0.32) KDM4EMAPK1TSHRRECQL
SCHEMBL14669263 0.78 KDM4E (0.32) KDM4EMAPK1TSHRRECQL
SCHEMBL13306044 0.78 CYP1A2 (0.40) MAPK1
SCHEMBL8908158 0.76 TSHR (0.44) KDM4EMAPK1TSHRRECQLTDP1
SCHEMBL7099055 0.76 TSHR (0.44) KDM4EMAPK1TSHRRECQLTDP1
SCHEMBL28985 0.76 TSHR (0.44) KDM4EMAPK1TSHRRECQLTDP1
SCHEMBL7099123 0.76 TSHR (0.44) KDM4EMAPK1TSHRRECQLTDP1
SCHEMBL2231395 0.75 KDM4E (0.33) KDM4E
Fluoride SCHEMBL6864685 0.74 TSHR (0.41) KDM4ETSHRRECQLTDP1ALDH1A1
SCHEMBL11661714 0.74 TSHR (0.41) KDM4ETSHRRECQLTDP1ALDH1A1

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
EP-0199194-B1 ELASTAN YARNS, THEIR PREPARATION AND INTERMEDIARY PRODUCTS NEEDED THEREFOR BAYER AG (DE) 1991-03-13 EP claimed