SCHEMBL10014385

SCHEMBL10014385

C#CCONC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
APEX1 P27695 1/20 0.48
LIPE Q05469 4/20 0.47
BCHE P06276 1/20 0.47
MAPK1 P28482 1/20 0.46
ACACB O00763 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGER4 P35408 1/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL10014178 0.90 L3MBTL1 (0.46) L3MBTL1LIPEBCHEPTGER4
SCHEMBL10014382 0.88 LMNA (0.55) LMNASMN1; SMN2LIPEMEN1MAPT
SCHEMBL9362254 0.86 L3MBTL1 (0.58) L3MBTL1LMNASMN1; SMN2CYP2C9TSHR
SCHEMBL30939017 0.85 L3MBTL1 (0.69) L3MBTL1LMNASMN1; SMN2CYP2C9TSHR
SCHEMBL8332894 0.85 L3MBTL1 (0.69) L3MBTL1LMNASMN1; SMN2CYP2C9TSHR
SCHEMBL9362215 0.85 L3MBTL1 (0.57) L3MBTL1LMNASMN1; SMN2CYP2C9TSHR
SCHEMBL10014383 0.84 L3MBTL1 (0.56) L3MBTL1LMNASMN1; SMN2CYP2C9TSHR
SCHEMBL10014379 0.83 L3MBTL1 (0.56) L3MBTL1LMNASMN1; SMN2CYP2C9TSHR
SCHEMBL9365761 0.82 L3MBTL1 (0.57) L3MBTL1LMNASMN1; SMN2CYP2C9TSHR
SCHEMBL9849063 0.81 L3MBTL1 (0.55) L3MBTL1LMNASMN1; SMN2CYP2C9TSHR

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
WO-2012003748-A1 N-OXO-ARYLOXYPHENOXYCARBOXYLIC ACID AMIDE COMPOUNDS WITH BIOLOGICAL ACTIVITIES, PREPARATION METHOD AND APPLICATION THEREOF 湖南化工研究院 (CN) 2012-01-12 WO disclosed