SCHEMBL7100460

SCHEMBL7100460

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MMP8 P22894 1/20 0.41
▸ GPR88 Q9GZN0 6/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL7101610 0.87 CYP1A2 (0.44) PTGS2PTGS1KMT2AMMP8GPR88
SCHEMBL7103276 0.80 KMT2A (0.46) PTGS2PTGS1KMT2ALMNAHCAR2
SCHEMBL870669 0.80 KMT2A (0.50) PTGS2PTGS1KMT2ACYP2D6LMNA
SCHEMBL4909298 0.79 KMT2A (0.44) PTGS2PTGS1KMT2ALMNAHCAR2
SCHEMBL8079979 0.79 KMT2A (0.44) PTGS2PTGS1KMT2ALMNAHCAR2
SCHEMBL7711581 0.79 KMT2A (0.44) PTGS2PTGS1KMT2ALMNAHCAR2
SCHEMBL304815 0.78 MMP8 (0.57) KMT2AMMP8LMNAMEN1SMN1; SMN2
SCHEMBL5983555 0.78 MMP8 (0.57) KMT2AMMP8LMNAMEN1SMN1; SMN2
SCHEMBL10756249 0.78 MMP8 (0.57) KMT2AMMP8LMNAMEN1SMN1; SMN2
Acetic Acid SCHEMBL27516772 0.76 PTGS2 (0.42) PTGS2PTGS1KMT2ALMNAHCAR2

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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