SCHEMBL27649554

SCHEMBL27649554

CCCCCCCCN(CCCCCCCC)C(=S)Sc1ccccc1.[Zn]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 1/20 0.44
ALDH2 P05091 1/20 0.44
PKM P14618 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 1/20 0.39
PAX8 Q06710 1/20 0.39
TACR1 P25103 1/20 0.39
CNR2 P34972 1/20 0.39
ICMT O60725 1/20 0.38
ALB P02768 1/20 0.38

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
SCHEMBL27629390 1.00 MGLL (0.47) MGLLALDH1A1ALDH2PKMCA12
SCHEMBL27649575 1.00 MGLL (0.47) MGLLALDH1A1ALDH2PKMCA12
SCHEMBL27629381 1.00 MGLL (0.47) MGLLALDH1A1ALDH2PKMCA12
SCHEMBL27649476 1.00 MGLL (0.47) MGLLALDH1A1ALDH2PKMCA12
SCHEMBL27629377 0.94 ALDH1A1 (0.52) MGLLALDH1A1ALDH2PKMCA12
SCHEMBL9872134 0.92 ALDH1A1 (0.53) MGLLALDH1A1ALDH2PKMCA12
SCHEMBL27649469 0.87 PKM (0.55) MGLLALDH1A1ALDH2PKMCA12
SCHEMBL6884022 0.83 ALDH1A1 (0.59) MGLLALDH1A1ALDH2PKMCA12
SCHEMBL27521010 0.80 SMN1; SMN2 (0.54) MGLLALDH1A1ALDH2PKMNPC1
SCHEMBL5299279 0.78 SMN1; SMN2 (0.56) MGLLALDH1A1ALDH2PKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101107346-B Urea-based lubricating grease composition SHELL INT RESEARCH 2010-12-01 CN disclosed
CN-100510040-C Grease composition SHELL INT RESEARCH (NL) 2009-07-08 CN disclosed
CN-101107346-A Urea-based lubricating grease composition SHELL INT RESEARCH (NL) 2008-01-16 CN disclosed
CN-1806032-A Grease composition SHELL INT RESEARCH (NL) 2006-07-19 CN disclosed