SCHEMBL8380683

SCHEMBL8380683

O=C1CCCCCCN1C(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
MITF O75030 1/20 0.66
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 5/20 0.55
AVPR2 P30518 6/20 0.52
AVPR1A P37288 5/20 0.52
OXTR P30559 2/20 0.52
USP2 O75604 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8380782 1.00 SMN1; SMN2 (0.66) SMN1; SMN2MITFHPGDKDM4EMEN1
SCHEMBL151854 1.00 SMN1; SMN2 (0.66) SMN1; SMN2MITFHPGDKDM4EMEN1
SCHEMBL9874977 1.00 SMN1; SMN2 (0.66) SMN1; SMN2MITFHPGDKDM4EMEN1
SCHEMBL8379316 1.00 SMN1; SMN2 (0.66) SMN1; SMN2MITFHPGDKDM4EMEN1
SCHEMBL6960124 0.98 SMN1; SMN2 (0.63) SMN1; SMN2MITFHPGDKDM4EMEN1
SCHEMBL1002469 0.93 CYP1A2 (0.64) SMN1; SMN2MITFHPGDKDM4EMEN1
Water SCHEMBL27387795 0.91 CYP1A2 (0.62) SMN1; SMN2MITFHPGDKDM4EMEN1
SCHEMBL8380777 0.91 MITF (0.77) SMN1; SMN2MITFHPGDKDM4EMEN1
SCHEMBL1823712 0.91 MITF (0.77) SMN1; SMN2MITFHPGDKDM4EMEN1
SCHEMBL1948086 0.91 MITF (0.77) SMN1; SMN2MITFHPGDKDM4EMEN1

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-0739880-B1 Process for the preparation of amido peroxycarboxylic acids CLARIANT GMBH (DE) 1999-03-31 EP disclosed
US-5648521-A DECYCLIZATION, OXIDATION HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed
EP-0739880-A2 Process for the preparation of amido peroxycarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-30 EP disclosed