SCHEMBL4061773

SCHEMBL4061773

CCOC(=O)/C(=C\I)C(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP8 P22894 1/20 0.44
CASP1 P29466 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
TSHR P16473 1/20 0.41
PIN1 Q13526 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4051755 1.00 MEN1 (0.49) MEN1KMT2AMMP8CASP1LMNA
SCHEMBL4048528 0.88 DHODH (0.44) MEN1KMT2ACASP1LMNAMAPT
SCHEMBL4061472 0.88 DHODH (0.44) MEN1KMT2ACASP1LMNAMAPT
SCHEMBL4019614 0.86 MEN1 (0.47) MEN1KMT2AMMP8CASP1LMNA
SCHEMBL4062017 0.85 MEN1 (0.50) MEN1KMT2ACASP1LMNAMAPT
SCHEMBL4056870 0.85 ALDH1A1 (0.44) MEN1KMT2ACASP1LMNAMAPT
SCHEMBL4060289 0.85 ALDH1A1 (0.44) MEN1KMT2ACASP1LMNAMAPT
SCHEMBL4057202 0.85 MEN1 (0.50) MEN1KMT2ACASP1LMNAMAPT
SCHEMBL4049872 0.85 MAPT (0.50) MEN1KMT2ACASP1LMNAMAPT
SCHEMBL4051074 0.85 MAPT (0.50) MEN1KMT2ACASP1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009110655-A1 NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2009-09-11 WO claimed
WO-2009110655-A1 NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2009-09-11 WO disclosed