SCHEMBL10048635

SCHEMBL10048635

CCCCCC(C)CC(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.47
FAAH O00519 4/20 0.44
CA1 P00915 2/20 0.42
ZDHHC7 Q9NXF8 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
GPR84 Q9NQS5 4/20 0.40
LMNA P02545 2/20 0.40
OPRM1 P35372 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL11297368 0.98 ACE2 (0.50) ACE2FAAHZDHHC7MAPTGPR84
Isobutane SCHEMBL29126862 0.98 ACE2 (0.46) ACE2FAAHCA1ZDHHC7MGAM
SCHEMBL29248331 0.98 ACE2 (0.50) ACE2FAAHZDHHC7MAPTGPR84
SCHEMBL15756260 0.98 ACE2 (0.50) ACE2FAAHZDHHC7MAPTGPR84
Hydrochloric Acid SCHEMBL30110404 0.98 ACE2 (0.46) ACE2FAAHCA1ZDHHC7MGAM
SCHEMBL28426484 0.98 ACE2 (0.50) ACE2FAAHZDHHC7MAPTGPR84
SCHEMBL28288920 0.98 ACE2 (0.50) ACE2FAAHZDHHC7MAPTGPR84
SCHEMBL6523473 0.98 ACE2 (0.50) ACE2FAAHZDHHC7MAPTGPR84
SCHEMBL12446351 0.98 ACE2 (0.50) ACE2FAAHZDHHC7MAPTGPR84
SCHEMBL1765985 0.94 MGAM (0.43) ACE2FAAHCA1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115843295-A NAMPT modulators 赛特凯恩蒂克公司 2023-03-24 CN disclosed
CN-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed
WO-2014125121-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ACADIA PHARMACEUTICALS INC. (US) 2014-08-21 WO disclosed
EP-2739600-A1 DIPHENYL SUBSTITUTED CYCLOHEXANE DERIVATIVES, USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS BETA Acadia Pharmaceuticals Inc. (US) 2014-06-11 EP disclosed
WO-2013017619-A1 DIPHENYL SUBSTITUTED CYCLOHEXANE DERIVATIVES, USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS BETA ACADIA PHARMACEUTICALS INC. (US) 2013-02-07 WO disclosed
WO-2012060387-A1 NOVEL DIHYDROXYBENZENE DERIVATIVES AND ANTIPROTOZOAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT アリジェン製薬株式会社 (JP) 2012-05-10 WO disclosed