SCHEMBL9596014

SCHEMBL9596014

CC(C)(C)NC(=O)c1noc(C(=O)O)c1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 7/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
RIPK1 Q13546 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GFER P55789 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
SCHEMBL9203061 0.85 LMNA (0.48) LMNARECQLALDH1A1HPGDGAA
SCHEMBL8986726 0.82 TRPV1 (0.44) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL9201816 0.81 GAA (0.37) LMNAALDH1A1HPGDGAAKDM4E
SCHEMBL9198074 0.81 ALDH1A1 (0.35) LMNARECQLALDH1A1HPGDGAA
SCHEMBL9240927 0.79 GAA (0.38) LMNARECQLALDH1A1HPGDGAA
SCHEMBL9203763 0.79 MEN1 (0.36) LMNARECQLALDH1A1HPGDGAA
SCHEMBL9595007 0.77 ALDH1A1 (0.44) LMNAALDH1A1HPGDGAAL3MBTL1
SCHEMBL14919525 0.75 CYP1A2 (0.46) LMNARECQLALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9201892 0.74 ALDH1A1 (0.37) LMNAALDH1A1HPGDGAAKDM4E
SCHEMBL9590076 0.69 ALDH1A1 (0.53) LMNAALDH1A1HPGDKDM4ESMN1; SMN2

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-5203907-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-04-20 US disclosed