SCHEMBL6154598

SCHEMBL6154598

CCOC(=O)CC(C)(C)C(=O)c1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
ELANE P08246 3/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PBRM1 Q86U86 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PPIB P23284 1/20 0.37
PPIA P62937 1/20 0.37

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
SCHEMBL6154138 0.86 ADRB2 (0.45) ADRB2ADRB1ADRB3LMNANPC1
SCHEMBL6401663 0.82 HSD11B1 (0.57) HSD11B1LMNANPC1POLBALDH1A1
SCHEMBL6153239 0.81 ALDH1A1 (0.49) ADRB2ADRB1ADRB3ELANELMNA
SCHEMBL13249005 0.77 KDM4E (0.50) ADRB2ADRB1ADRB3ELANELMNA
SCHEMBL8616315 0.76 SMN1; SMN2 (0.56) LMNANPC1POLBKDM4EALDH1A1
SCHEMBL133366 0.76 LMNA (0.62) ADRB2ADRB1ADRB3ELANELMNA
SCHEMBL29465556 0.76 LMNA (0.62) ADRB2ADRB1ADRB3ELANELMNA
SCHEMBL6154529 0.75 PTPN1 (0.42) HSD11B1LMNANPC1ALDH1A1SMN1; SMN2
SCHEMBL3611806 0.75 ESR1 (0.54) HSD11B1LMNANPC1ALDH1A1SMN1; SMN2
Methane SCHEMBL15286491 0.74 LMNA (0.61) ADRB2ADRB1ADRB3ELANELMNA

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
EP-1226868-B1 CATALYST FOR PRODUCING ACETIC ACID SHOWA DENKO KK (JP) 2005-12-28 EP disclosed
EP-1226868-A1 PROCESS FOR PRODUCING ALKYD RESIN Showa Denko K.K. (JP) 2002-07-31 EP disclosed