SCHEMBL5135541

SCHEMBL5135541

NC(=O)C(O)CCCCCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.58
TRPA1 O75762 1/20 0.56
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
S1PR2 O95136 1/20 0.51
S1PR4 O95977 1/20 0.51
S1PR1 P21453 1/20 0.51
S1PR3 Q99500 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
LMNA P02545 1/20 0.49
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 2/20 0.47
ALOX5 P09917 1/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL865266 1.00 FAAH (0.58) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL8021775 0.93 GRIK1 (0.53) FAAHTRPA1MAPTRXFP1LMNA
SCHEMBL8667618 0.86 TRPA1 (0.59) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL8663794 0.86 TRPA1 (0.59) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL5155795 0.86 TRPA1 (0.59) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL11831213 0.86 TRPA1 (0.59) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL864212 0.86 TRPA1 (0.59) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL11836000 0.86 TRPA1 (0.59) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL8669194 0.86 TRPA1 (0.59) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL1004196 0.85 ANPEP (0.50) FAAHTRPA1LMNASMN1; SMN2

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
EP-1926367-A1 STABILIZATION OF IODINE BIOCIDES Lanxess Deutschland GmbH & Co.KG (DE) 2008-06-04 EP disclosed
WO-2007028527-A1 STABILIZATION OF IODINE BIOCIDES LANXESS DEUTSCHLAND GMBH (DE) 2007-03-15 WO disclosed