SCHEMBL7803989

SCHEMBL7803989

CC(C)C(C(=O)OO)N1C(=O)C2CCCCC2C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PPOX P50336 1/20 0.36
GLA P06280 1/20 0.34
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
STAT3 P40763 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7796003 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL7802019 0.83 KDM4E (0.47) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL7804734 0.83 KDM4E (0.47) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL7802817 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL7804741 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL13532554 0.70 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL12308315 0.70 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL7802041 0.70 KDM4E (0.45) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL7796000 0.70 KDM4E (0.45) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL1147306 0.69 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366041-B2 Imido-percarboxylic acids AUSIMONT SPA (IT) 2001-09-12 EP claimed
EP-0366041-B1 Imido-percarboxylic acids AUSIMONT SPA (IT) 1998-08-05 EP claimed
US-5536434-A BLEACHES AUSIMONT S.P.A. (IT) 1996-07-16 US claimed
EP-0366041-A2 Imido-percarboxylic acids AUSIMONT S.r.l. (IT) 1990-05-02 EP claimed