SCHEMBL20714713

SCHEMBL20714713

CCCCS(=O)(=O)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP12 P39900 1/20 0.38
ECE1 P42892 1/20 0.38
MMP13 P45452 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 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
SCHEMBL23149821 0.98 CYP1A2 (0.41) MMP1MMP7MMP12ECE1MMP13
SCHEMBL14370975 0.91 FAAH (0.45) MMP1MMP7MMP12ECE1MMP13
SCHEMBL6895346 0.91 ALDH1A1 (0.39) ALDH1A1LMNAMAPTNPC1S1PR2
SCHEMBL10904086 0.90 FAAH (0.43) MMP1MMP7MMP12ECE1MMP13
SCHEMBL20169603 0.90 FAAH (0.43) MMP1MMP7MMP12ECE1MMP13
SCHEMBL8134289 0.86 MMP1 (0.33) MMP1MMP7MMP12ECE1MMP13
SCHEMBL778711 0.85 ALOX5AP (0.31)
SCHEMBL777574 0.83 CA1 (0.33) MMP1MMP7MMP12ECE1MMP13
SCHEMBL2951024 0.81 CA1 (0.32) MMP1MMP7MMP12ECE1MMP13
SCHEMBL12735659 0.81 CYP1A2 (0.39) CYP1A2ALDH1A1LMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021067436-A1 ADDITIVES FOR POLYMER EMULSION STABILIZATION CHAMPIONX USA INC. (US) 2021-04-08 WO disclosed
US-20210095183-A1 ADDITIVES FOR POLYMER EMULSION STABILIZATION HARBISON-FISCHER, INC. 2021-04-01 US disclosed
WO-2019025156-A1 SUBSTITUTED PYRROLIDINONES, SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed