SCHEMBL28066809

SCHEMBL28066809

CC(C)(C)CCC1CCC1.CC(C)(C)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.34
ATM Q13315 1/20 0.34
MAOB P27338 3/20 0.33
HTT P42858 2/20 0.33
NR1I2 O75469 1/20 0.33
CYP2C9 P11712 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL29188982 0.86 ALDH1A1 (0.58) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL8858247 0.83 ALDH1A1 (0.55) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL27722774 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL29188979 0.81 ALDH1A1 (0.51) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL3241114 0.78 ALDH1A1 (0.51) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL27293814 0.77 ALDH1A1 (0.86) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL29358279 0.75 ALDH1A1 (1.00) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL22729938 0.75 ALDH1A1 (1.00) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL51803 0.75 ALDH1A1 (1.00) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL2825479 0.74 ALDH1A1 (0.78) ALDH1A1TSHRTDP1NPC1RAB9A

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-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