SCHEMBL28332249

SCHEMBL28332249

CCCCC(=O)CCCC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CES1 P23141 6/20 0.46
CES2 O00748 5/20 0.46
ALDH1A1 P00352 4/20 0.42
TP53 P04637 1/20 0.42
CA1 P00915 1/20 0.41
IAPP P10997 2/20 0.38
HAO1 Q9UJM8 1/20 0.38
AKR1B1 P15121 1/20 0.37
FAAH O00519 1/20 0.37
TSHR P16473 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL18800136 0.93 KMT2A (0.50) MAPTKMT2ACES1CES2ALDH1A1
SCHEMBL8896875 0.91 KMT2A (0.54) MAPTKMT2ACES1CES2ALDH1A1
SCHEMBL8896005 0.91 KMT2A (0.59) MAPTKMT2ACES1CES2ALDH1A1
SCHEMBL19931479 0.91 MAPT (0.41) MAPTKMT2ACES1CES2ALDH1A1
SCHEMBL15457453 0.90 MAPT (0.37) MAPTKMT2AALDH1A1
SCHEMBL25885737 0.87 MAPT (0.41) MAPTKMT2ACES1CES2ALDH1A1
SCHEMBL8896816 0.86 KMT2A (0.59) MAPTKMT2ACES1CES2ALDH1A1
SCHEMBL8896880 0.86 KMT2A (0.59) MAPTKMT2ACES1CES2ALDH1A1
SCHEMBL491385 0.84 KMT2A (0.56) MAPTKMT2ACES1CES2ALDH1A1
SCHEMBL8895814 0.84 MAPT (0.45) MAPTKMT2ACES1CES2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110402288-A It is formed for pretreated higher-pressure region SWEETWATER ENERGY INC 2019-11-01 CN disclosed