SCHEMBL2225346

SCHEMBL2225346

COC(=O)C1=CCC(=NO)C=C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.32
PTPN1 P18031 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
THRB P10828 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
MAPK10 P53779 1/20 0.30
KMT2A Q03164 1/20 0.30
PTK2B Q14289 1/20 0.30
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
BLM P54132 1/20 0.30

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
Hydrochloric Acid SCHEMBL10854710 0.79
SCHEMBL12467435 0.79
SCHEMBL6422121 0.78 HPGD (0.44) LMNATSHRMEN1MAPTKMT2A
SCHEMBL9259279 0.77 TSHR (0.33) LMNATSHRMEN1MAPTHTT
SCHEMBL48012 0.76 LMNA (0.37) CHRM3PTPN1LMNACHRM2CHRM4
SCHEMBL28926409 0.74 CHRM3 (0.33) CHRM3PTPN1LMNACHRM2CHRM4
SCHEMBL7035636 0.74 LMNA (0.36) CHRM3PTPN1LMNACHRM2CHRM4
SCHEMBL8417905 0.74 TSHR (0.35) CHRM3PTPN1LMNACHRM2CHRM4
SCHEMBL11439092 0.71
SCHEMBL6813512 0.70 CHRM3 (0.31) CHRM3PTPN1LMNACHRM2CHRM4

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
WO-2012074168-A1 METHOD FOR PREPARING METHYL-4-HYDROXYIMINOBENZOATE 에스케이유화 주식회사 (KR) 2012-06-07 WO disclosed
WO-2012074168-A1 METHOD FOR PREPARING METHYL-4-HYDROXYIMINOBENZOATE 에스케이유화 주식회사 (KR) 2012-06-07 WO disclosed
WO-2011087211-A2 PREPARATION METHOD OF 4-AMINOMETHYLBENZOIC ACID 주식회사 네이퓨 (KR) 2011-07-21 WO disclosed