SCHEMBL3241114

SCHEMBL3241114

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA2 P00918 1/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 2/20 0.32
LMNA P02545 2/20 0.32
MMP1 P03956 4/20 0.32
MMP13 P45452 2/20 0.32
NR1I2 O75469 1/20 0.31
CYP2C9 P11712 1/20 0.31
MIF P14174 1/20 0.31
TYR P14679 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
SCHEMBL28307749 0.83 TSHR (0.49) ALDH1A1TSHRTDP1CA2HSD17B10
SCHEMBL28066851 0.81 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2HSD17B10
SCHEMBL28066785 0.79 ALDH1A1 (0.44) ALDH1A1TSHRTDP1ATMLMNA
SCHEMBL29188982 0.79 ALDH1A1 (0.58) ALDH1A1TSHRTDP1CA2HSD17B10
SCHEMBL28829090 0.78 ALDH1A1 (0.43) ALDH1A1TSHRTDP1ATMMMP1
SCHEMBL28066809 0.78 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CA2HSD17B10
SCHEMBL19137961 0.77 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ATMMMP1
SCHEMBL8858247 0.77 ALDH1A1 (0.55) ALDH1A1TSHRTDP1CA2HSD17B10
SCHEMBL24599798 0.76 CYP1A2 (0.31) CYP1A2
SCHEMBL27722774 0.75 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CA2HSD17B10

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
CN-110194984-A Graft polymers with dust treatment characteristic 雅富顿化学公司 2019-09-03 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
US-7744660-B2 Gel additives for fuel that reduce soot and/or emissions from engines THE LUBRIZOL CORPORATION (US) 2010-06-29 US disclosed
US-20060272597-A1 Gel additives for fuel that reduce soot and/or emissions from engines BURRINGTON JAMES D 2006-12-07 US disclosed