SCHEMBL4904218

SCHEMBL4904218

CCCC(=O)SC(C)CC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
FFAR3 O14843 3/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL20499819 0.85 CES2 (0.48) CES2CES1TSHRMEN1FAAH
SCHEMBL28932392 0.80
SCHEMBL7537302 0.80
SCHEMBL11243791 0.80 CES1 (0.38) CES2CES1TSHRFAAH
SCHEMBL11249064 0.77 CES1 (0.33) CES2CES1FAAH
SCHEMBL3505899 0.76 ALDH1A1 (0.40)
SCHEMBL11255111 0.76 CES1 (0.33) CES2CES1
SCHEMBL28008921 0.76 TSHR (0.40) TSHRMEN1FAAHMAPK1KMT2A
SCHEMBL11877581 0.72
SCHEMBL10819298 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 US claimed
US-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 US disclosed