SCHEMBL7103276

SCHEMBL7103276

C[CH]OC(=O)C(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ PTGS2 P35354 2/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.42
▸ CHRM2 P08172 2/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ FAAH O00519 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRM7 Q14831 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HTR6 P50406 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
SCHEMBL870669 0.85 KMT2A (0.50) KMT2APTGS2PTGS1HCAR2FAAH
SCHEMBL4909298 0.83 KMT2A (0.44) KMT2APTGS2PTGS1HCAR2FAAH
SCHEMBL8079979 0.83 KMT2A (0.44) KMT2APTGS2PTGS1HCAR2FAAH
SCHEMBL7711581 0.83 KMT2A (0.44) KMT2APTGS2PTGS1HCAR2FAAH
SCHEMBL7100460 0.80 PTGS2 (0.42) KMT2APTGS2PTGS1HCAR2CHRM2
Acetic Acid SCHEMBL27542169 0.80 PTGS2 (0.42) KMT2APTGS2PTGS1HCAR2FAAH
Acetic Acid SCHEMBL27516772 0.80 PTGS2 (0.42) KMT2APTGS2PTGS1HCAR2FAAH
Acetic Acid SCHEMBL27420785 0.80 PTGS2 (0.42) KMT2APTGS2PTGS1HCAR2FAAH
SCHEMBL7651108 0.79 KMT2A (0.52) KMT2APTGS2PTGS1FAAHLMNA
SCHEMBL5692490 0.79 KMT2A (0.52) KMT2APTGS2PTGS1FAAHLMNA

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
EP-0962491-B1 Cyanacetylurea to stabilize halogenated polymers CROMPTON VINYL ADDITIVES GMBH (DE) 2003-06-04 — — EP disclosed
US-6211270-B1 HEAT AND LIGHT STABILIZERS FOR POLYMERS WITCO VINYL ADDITIVES GMBH (DE) 2001-04-03 — — US disclosed
EP-0962491-A1 Cyanacetylurea to stabilize halogenated polymers Witco Vinyl Additives GmbH (DE) 1999-12-08 — — EP disclosed
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