SCHEMBL28829090

SCHEMBL28829090

CC(C)(C)c1ccccc1O.CCCCCC(CC1CCC1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BCHE P06276 6/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
RBP4 P02753 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 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
SCHEMBL19137961 0.99 ALDH1A1 (0.42) ALDH1A1TSHRTDP1BCHEACHE
SCHEMBL28066785 0.96 ALDH1A1 (0.44) ALDH1A1TSHRTDP1BCHEACHE
SCHEMBL28066851 0.91 ALDH1A1 (0.46) ALDH1A1TSHRTDP1BCHEACHE
SCHEMBL28307749 0.86 TSHR (0.49) ALDH1A1TSHRTDP1ATMMMP1
SCHEMBL7198536 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1GAAXBP1
SCHEMBL27722774 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1BCHEACHE
Tert-Butylbenzene SCHEMBL28181910 0.81 MMP1 (0.37) BCHEGAAXBP1NPSR1MMP1
SCHEMBL29188979 0.81 ALDH1A1 (0.51) ALDH1A1TSHRTDP1BCHEACHE
SCHEMBL8858247 0.81 ALDH1A1 (0.55) ALDH1A1TSHRTDP1BCHEACHE
SCHEMBL3241114 0.78 ALDH1A1 (0.51) ALDH1A1TSHRTDP1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110028998-A For the emulsifier in lubricating oil 雅富顿化学公司 2019-07-19 CN disclosed
CN-102952609-B Lubricant compositions containing functionalised dispersant 雅富顿化学公司 2016-07-06 CN disclosed
CN-102643706-B Nanoparticle additives and the lubricant formulations containing this nanoparticle additives AFTON CHEMICAL CORP (US) 2016-06-01 CN disclosed