SCHEMBL27446293

SCHEMBL27446293

CO/N=C(/C(=O)OC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HIF1A Q16665 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
SRC P12931 1/20 0.42
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 4/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CES1 P23141 2/20 0.40
CES2 O00748 1/20 0.40
TYMP P19971 1/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7457347 1.00 TSHR (0.50) TSHRHIF1ASMN1; SMN2SRCGAA
SCHEMBL9196464 0.87 PARP10 (0.49) HIF1ASMN1; SMN2MAPTRAB9APOLB
SCHEMBL8007984 0.84 TSHR (0.48) TSHRSMN1; SMN2SRCGAACYP2C19
SCHEMBL3958996 0.84 TSHR (0.48) TSHRSMN1; SMN2SRCGAACYP2C19
SCHEMBL3689392 0.84 TSHR (0.48) TSHRSMN1; SMN2SRCGAACYP2C19
SCHEMBL27447670 0.84 ELANE (0.45) TSHRHIF1AMAPTRAB9AL3MBTL1
SCHEMBL2045474 0.83 TSHR (0.44) TSHRSMN1; SMN2SRCGAACYP2C19
SCHEMBL2045476 0.83 TSHR (0.44) TSHRSMN1; SMN2SRCGAACYP2C19
SCHEMBL29172895 0.83 TDP1 (0.52) SMN1; SMN2GAAMAPTRAB9ACES1
SCHEMBL9659551 0.83 CA1 (0.52) HIF1AGAAMAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104059027-B One class contains (E)-methoxyimino methyl phenylacetate compounds of 1,2,4-triazole and its production and use HEBEI UNIVERSITY (CN) 2015-10-28 CN claimed
CN-104059027-A (E)-methyl 2-methoxyiminobenzeneacetate compound containing 1, 2, 4-triazole and preparation method and application thereof UNIV HEBEI 2014-09-24 CN claimed
CN-103613542-A Aryl pyrazole compound containing -methoxy imino methyl phenylacetate, preparation method and application NANJING UNIVERSITY OF TECHNOLOGY 2014-03-05 CN claimed
CN-104059027-B One class contains (E)-methoxyimino methyl phenylacetate compounds of 1,2,4-triazole and its production and use HEBEI UNIVERSITY (CN) 2015-10-28 CN disclosed
CN-104059027-B One class contains (E)-methoxyimino methyl phenylacetate compounds of 1,2,4-triazole and its production and use HEBEI UNIVERSITY (CN) 2015-10-28 CN disclosed
CN-104059027-A (E)-methyl 2-methoxyiminobenzeneacetate compound containing 1, 2, 4-triazole and preparation method and application thereof UNIV HEBEI 2014-09-24 CN disclosed
CN-103613542-A Aryl pyrazole compound containing -methoxy imino methyl phenylacetate, preparation method and application NANJING UNIVERSITY OF TECHNOLOGY 2014-03-05 CN disclosed
CN-1118349-A Oxime derivatives of cephalosporanic structure and compounds for their preparation ACS DOBFAR SPA (IT) 1996-03-13 CN disclosed