SCHEMBL9518602

SCHEMBL9518602

O=C(CCCCC(=O)OCOC1CCCCC1)OCOC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.51
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
EPHX2 P34913 3/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C19 P33261 1/20 0.37
DGKA P23743 1/20 0.35
EPHX1 P07099 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL10103423 0.85 NAAA (0.49) NAAALMNAALDH1A1EPHX2CYP2C19
SCHEMBL14878943 0.80 NAAA (0.43) NAAALMNAALDH1A1CYP2C19EPHX1
SCHEMBL14136040 0.80 NAAA (0.43) NAAALMNAALDH1A1CYP2C19EPHX1
SCHEMBL26939317 0.78 LMNA (0.41) NAAALMNASMN1; SMN2ALDH1A1POLB
SCHEMBL21968831 0.78 NAAA (0.46) NAAALMNASMN1; SMN2ALDH1A1GAA
SCHEMBL24603593 0.78 EPHX1 (0.40) NAAALMNAALDH1A1CYP2C19EPHX1
SCHEMBL2739883 0.78 EPHX1 (0.40) NAAALMNAALDH1A1CYP2C19EPHX1
SCHEMBL18126176 0.77 NAAA (0.62) NAAALMNASMN1; SMN2ALDH1A1GAA
SCHEMBL207867 0.77 NAAA (0.79) NAAALMNASMN1; SMN2ALDH1A1EPHX2
SCHEMBL17675641 0.77 NAAA (0.79) NAAALMNASMN1; SMN2ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377931-B1 Isocyanate modified blocked sulfonic acid ester as a crosslinking catalyst KING INDUSTRIES INC (US) 1993-11-03 EP disclosed
US-5102961-A Of hydroxyl, carboxyl or amide containing polymers; improved hardness, flexibility, adhesion and impact strength KING INDUSTRIES (US) 1992-04-07 US disclosed
EP-0377931-A2 Isocyanate modified blocked sulfonic acid ester as a crosslinking catalyst KING INDUSTRIES, INC. (US) 1990-07-18 EP disclosed