SCHEMBL3134628

SCHEMBL3134628

CCCCC(N)=CC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.44
CES2 O00748 5/20 0.44
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
FAAH O00519 3/20 0.41
SOAT1 P35610 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.39
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 2/20 0.37
AKR1B1 P15121 1/20 0.36
TSHR P16473 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL3134624 1.00 CES1 (0.44) CES1CES2ALDH1A1TP53FAAH
SCHEMBL7148017 0.82 CES1 (0.44) CES1CES2ALDH1A1TP53FAAH
SCHEMBL7148020 0.82 CES1 (0.44) CES1CES2ALDH1A1TP53FAAH
SCHEMBL7148023 0.82 CES1 (0.44) CES1CES2ALDH1A1TP53FAAH
SCHEMBL11876603 0.77 FAAH (0.50) CES1CES2ALDH1A1TP53FAAH
SCHEMBL11876598 0.77 FAAH (0.50) CES1CES2ALDH1A1TP53FAAH
SCHEMBL10686341 0.77 CES1 (0.39) CES1CES2ALDH1A1TP53FAAH
SCHEMBL10686333 0.77 CES1 (0.39) CES1CES2ALDH1A1TP53FAAH
SCHEMBL1782626 0.76 CES1 (0.48) CES1CES2ALDH1A1TP53MEN1
SCHEMBL1782624 0.76 CES1 (0.48) CES1CES2ALDH1A1TP53MEN1

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
US-20100075431-A1 FORMALDEHYDE DETECTOR BODY, FORMALDEHYDE DETECTOR, FORMALDEHYDE DETECTION METHOD AND FORMALDEHYDE DETECTION REAGENT DAIKIN INDUSTRIES, LTD. (JP) 2010-03-25 US claimed
EP-2085769-A1 FORMALDEHYDE DETECTING MATERIAL, FORMALDEHYDE DETECTOR, FORMALDEHYDE DETECTING METHOD AND FORMALDEHYDE DETECTING REAGENT Daikin Industries, Ltd. (JP) 2009-08-05 EP claimed
US-20100075431-A1 FORMALDEHYDE DETECTOR BODY, FORMALDEHYDE DETECTOR, FORMALDEHYDE DETECTION METHOD AND FORMALDEHYDE DETECTION REAGENT DAIKIN INDUSTRIES, LTD. (JP) 2010-03-25 US disclosed
EP-2085769-A1 FORMALDEHYDE DETECTING MATERIAL, FORMALDEHYDE DETECTOR, FORMALDEHYDE DETECTING METHOD AND FORMALDEHYDE DETECTING REAGENT Daikin Industries, Ltd. (JP) 2009-08-05 EP disclosed