SCHEMBL8667484

SCHEMBL8667484

O=C(O)C(O)(O)C(O)CCCCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.54
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
FAAH O00519 5/20 0.47
CES1 P23141 3/20 0.47
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 3/20 0.45
ALOX5 P09917 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45

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
SCHEMBL9620397 1.00 TRPA1 (0.54) TRPA1MAPTRXFP1TRPV1FAAH
SCHEMBL9620206 0.83 TRPA1 (0.56) TRPA1MAPTRXFP1TRPV1FAAH
SCHEMBL14201454 0.78 TRPA1 (0.48) TRPA1MAPTRXFP1TRPV1FAAH
SCHEMBL10694052 0.77 TRPA1 (0.56) TRPA1MAPTRXFP1TRPV1FAAH
SCHEMBL8663794 0.76 TRPA1 (0.59) TRPA1MAPTRXFP1TRPV1FAAH
SCHEMBL11831213 0.76 TRPA1 (0.59) TRPA1MAPTRXFP1TRPV1FAAH
SCHEMBL11836000 0.76 TRPA1 (0.59) TRPA1MAPTRXFP1TRPV1FAAH
SCHEMBL5155795 0.76 TRPA1 (0.59) TRPA1MAPTRXFP1TRPV1FAAH
SCHEMBL8667618 0.76 TRPA1 (0.59) TRPA1MAPTRXFP1TRPV1FAAH
SCHEMBL864212 0.76 TRPA1 (0.59) TRPA1MAPTRXFP1TRPV1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728752-A LACTONE POLYMERS ETHICON, INC. (US) 1998-03-17 US disclosed