SCHEMBL9680914

SCHEMBL9680914

CN(CC(O)C(=O)O)c1ccccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.43
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
KDM4E B2RXH2 4/20 0.39
POLB P06746 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
AOC3 Q16853 1/20 0.38
MASP2 O00187 1/20 0.36
ABCC1 P33527 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL7635322 0.83 ALDH1A1 (0.43) PTPN1ALDH1A1ALOX15MAPTGAA
SCHEMBL10732068 0.81 ALDH1A1 (0.42) PTPN1ALDH1A1ALOX15MAPTGAA
SCHEMBL31084573 0.79 ALDH1A1 (0.50) PTPN1ALDH1A1ALOX15MAPTGAA
SCHEMBL26423787 0.78 ALDH1A1 (0.48) PTPN1ALDH1A1ALOX15MAPTGAA
SCHEMBL4607462 0.76 ALDH1A1 (0.46) PTPN1ALDH1A1ALOX15MAPTGAA
SCHEMBL31357954 0.75 ALDH1A1 (0.45) PTPN1ALDH1A1ALOX15MAPTGAA
SCHEMBL14399058 0.75 PTPN1 (0.46) PTPN1ALDH1A1ALOX15MAPTGAA
SCHEMBL3276453 0.75 ABCC1 (0.53) PTPN1ALDH1A1ALOX15TSHRHPGD
SCHEMBL30110322 0.74 ALDH1A1 (0.50) PTPN1ALDH1A1GAATSHRHDAC8
SCHEMBL5691932 0.74 ALDH1A1 (0.50) PTPN1ALDH1A1GAATSHRHDAC8

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
US-5175175-A Mixture of 1-octen-4-ol and Schiff base INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-12-29 US disclosed
US-5118711-A Ketone, ketoesters and alcohol in repelling insects; use of aliphatic ester in attracting insects and process and apparatus for determination of insect repellency and attractancy INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-06-02 US disclosed