SCHEMBL4614904

SCHEMBL4614904

CCC/C(=C/c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CYP19A1 P11511 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 1/20 0.44
AKR1C1 Q04828 1/20 0.42

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
SCHEMBL4614326 1.00 MTNR1A (0.53) MTNR1AMTNR1BLMNAMEN1KMT2A
SCHEMBL6548206 0.89 MAPT (0.47) MTNR1AMTNR1BMEN1KMT2ACES2
SCHEMBL20534163 0.89 ESR1 (0.61) MTNR1AMTNR1BKMT2ACES2CES1
SCHEMBL20534166 0.89 ESR1 (0.61) MTNR1AMTNR1BKMT2ACES2CES1
SCHEMBL560984 0.89 LMNA (0.51) MTNR1AMTNR1BLMNAMEN1KMT2A
SCHEMBL7052945 0.87 LMNA (0.58) MTNR1AMTNR1BLMNAMEN1KMT2A
SCHEMBL11352148 0.85 TDP1 (0.59) MTNR1AMTNR1BLMNACES2CES1
SCHEMBL5606420 0.83 ESR1 (0.62) MTNR1AMTNR1BMEN1KMT2ACYP19A1
SCHEMBL7912475 0.83 ESR1 (0.62) MTNR1AMTNR1BMEN1KMT2ACYP19A1
SCHEMBL1226484 0.83 ESR1 (0.62) MTNR1AMTNR1BMEN1KMT2ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1288235-B1 Agents for the improvement of the vulcanisation behaviour in the preparation of grafted or crosslinked polymers and filled resins EVONIK DEGUSSA GMBH (DE) 2008-02-20 EP claimed
US-6864323-B2 Composition for improving scorch conditions in the preparation of grafted and/or crosslinked polymers and of filled plastics DEGUSSA AG (DE) 2005-03-08 US claimed
US-20030114604-A1 Composition for improving scorch conditions in the preparation of grafted and/or crosslinked polymers and of filled plastics DEGUSA AG (DE) 2003-06-19 US claimed
US-6864323-B2 Composition for improving scorch conditions in the preparation of grafted and/or crosslinked polymers and of filled plastics DEGUSSA AG (DE) 2005-03-08 US disclosed
US-20030114604-A1 Composition for improving scorch conditions in the preparation of grafted and/or crosslinked polymers and of filled plastics DEGUSA AG (DE) 2003-06-19 US disclosed