SCHEMBL5048524

SCHEMBL5048524

CCCCC[C](C)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
AKR1B1 P15121 1/20 0.39
GPR84 Q9NQS5 6/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37

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
SCHEMBL7159190 0.98 CES2 (0.42) CES2CES1LMNAMEN1KMT2A
SCHEMBL10754284 0.98 CES2 (0.42) CES2CES1LMNAMEN1KMT2A
SCHEMBL28656518 0.98 CES2 (0.42) CES2CES1LMNAMEN1KMT2A
SCHEMBL11568145 0.92 CES1 (0.39) CES2CES1LMNAMEN1KMT2A
SCHEMBL10493687 0.81
SCHEMBL8694144 0.81 CES2 (0.37) CES2CES1LMNAMEN1KMT2A
SCHEMBL11529584 0.78 CES2 (0.39) CES2CES1LMNAMEN1KMT2A
SCHEMBL22401652 0.78 CES2 (0.53) CES2CES1MEN1KMT2AAKR1B1
SCHEMBL11154266 0.77 PTPN1 (0.41) LMNAALDH1A1TDP1PTPN1
SCHEMBL543158 0.77 CES2 (0.42) CES2CES1LMNAMEN1KMT2A

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
WO-2008009680-A1 NOVEL HYDROGEN-RICH 1,3-DIALKOXYDISILOXANES AND PROCESSES FOR THEIR PREPARATION AND THEIR USE TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) 2008-01-24 WO claimed
CN-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed
CN-108473528-A High intensity sweetner 赛诺米克斯公司 2018-08-31 CN disclosed
WO-2008009680-A1 NOVEL HYDROGEN-RICH 1,3-DIALKOXYDISILOXANES AND PROCESSES FOR THEIR PREPARATION AND THEIR USE TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) 2008-01-24 WO disclosed