SCHEMBL10940804

SCHEMBL10940804

CC(=O)C(O)CCCCCCCCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.56
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
FAAH O00519 3/20 0.51
TRPV1 Q8NER1 2/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
S1PR2 O95136 1/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
ALOX5 P09917 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 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
SCHEMBL10942505 1.00 TRPA1 (0.56) TRPA1MAPTRXFP1FAAHTRPV1
SCHEMBL10942249 1.00 TRPA1 (0.56) TRPA1MAPTRXFP1FAAHTRPV1
SCHEMBL864212 0.86 TRPA1 (0.59) TRPA1MAPTRXFP1FAAHTRPV1
SCHEMBL11836000 0.86 TRPA1 (0.59) TRPA1MAPTRXFP1FAAHTRPV1
SCHEMBL8667618 0.86 TRPA1 (0.59) TRPA1MAPTRXFP1FAAHTRPV1
SCHEMBL11831213 0.86 TRPA1 (0.59) TRPA1MAPTRXFP1FAAHTRPV1
SCHEMBL5155795 0.86 TRPA1 (0.59) TRPA1MAPTRXFP1FAAHTRPV1
SCHEMBL8669194 0.86 TRPA1 (0.59) TRPA1MAPTRXFP1FAAHTRPV1
SCHEMBL8663794 0.86 TRPA1 (0.59) TRPA1MAPTRXFP1FAAHTRPV1
SCHEMBL108639 0.85 ALDH1A1 (0.53) ALDH1A1HPGDKMT2A

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-4499013-A ADDING AND ACETYLPHENYL FATTY ACID, ESTOL OR HYDROXY NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1985-02-12 US disclosed