SCHEMBL997630

SCHEMBL997630

CCN(CC)C(N)(N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
ARG1 P05089 3/20 0.33
ARG2 P78540 3/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
GGT1 P19440 1/20 0.32
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 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
SCHEMBL28674228 0.80 GPR84 (0.38) ALDH1A1MEN1KMT2ATSHR
SCHEMBL3162331 0.80 GPR84 (0.38) ALDH1A1MEN1KMT2ATSHR
SCHEMBL13728832 0.72 TSHR (0.35) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL10207205 0.70 TSHR (0.38) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL159570 0.70 ALDH1A1 (0.40) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL29619903 0.68 TSHR (0.43) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Hydrochloric Acid SCHEMBL10277170 0.68 TSHR (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL5144739 0.67 ALDH1A1 (0.35) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL27845166 0.67 ALDH1A1 (0.35) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL20522050 0.66 GLRA1 (0.31) KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098203-A1 LUBRICANT COMPOSITION FOR RESIN CONVEYOR AND METHOD FOR USING SAME DIVERSEY, INC. (US) 2011-04-28 US disclosed
US-7875581-B2 excels in washing ability, lubricating ability and prevents stress cracking of polyalkylene terephthalate containers; storage stability DIVERSEY, INC. (US) 2011-01-25 US disclosed
EP-2144984-A2 LUBRICANT COMPOSITION FOR RESIN CONVEYOR AND METHOD FOR USING SAME JohnsonDiversey, Inc., (US) 2010-01-20 EP disclosed
US-20090029886-A1 LUBRICANT COMPOSITION FOR RESIN CONVEYOR AND METHOD FOR USING SAME JOHNSONDIVERSEY, INC. (US) 2009-01-29 US disclosed
WO-2007051011-A2 LUBRICANT COMPOSITION FOR RESIN CONVEYOR AND METHOD FOR USING SAME JOHNSONDIVERSEY, INC. (US) 2007-05-03 WO disclosed