SCHEMBL8072056

SCHEMBL8072056

O=C1CCCC(=O)N1CCCCCCCCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 4/20 0.44
PABPC1 P11940 2/20 0.44
LMNA P02545 2/20 0.44
RECQL P46063 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RGS12 O14924 1/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
FAAH O00519 2/20 0.39
MGLL Q99685 2/20 0.39
CHRM2 P08172 5/20 0.37
CHRM4 P08173 5/20 0.37
CHRM5 P08912 5/20 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
SCHEMBL8071806 1.00 KMT2A (0.52) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL8077162 0.91 ALDH1A1 (0.47) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL31065448 0.91 ALDH1A1 (0.47) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL8021632 0.91 ALDH1A1 (0.47) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL9818023 0.91 ALDH1A1 (0.47) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL16039334 0.89 ALDH1A1 (0.48) KMT2AMEN1POLBALDH1A1SMN1; SMN2
Acrylic Acid SCHEMBL31065449 0.87 KMT2A (0.41) KMT2AMEN1POLBALDH1A1SMN1; SMN2
Acrylic Acid SCHEMBL31065436 0.87 KMT2A (0.41) KMT2AMEN1POLBALDH1A1SMN1; SMN2
Acrylic Acid SCHEMBL31065409 0.87 KMT2A (0.41) KMT2AMEN1POLBALDH1A1SMN1; SMN2
Acrylic Acid SCHEMBL31065441 0.87 KMT2A (0.41) KMT2AMEN1POLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 EP claimed
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 EP claimed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 WO claimed
US-6121270-A N-(EPOXYALKYL)XANTHINE DERIVATIVES WHICH MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI CELL THERAPEUTICS, INC. (US) 2000-09-19 US disclosed
US-5866576-A COMPOUNDS THAT ACT AS DRUGS ON THE CELLULAR AND BIOCHEMICAL LEVEL TO MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI. CELL THERAPEUTICS, INC. (US) 1999-02-02 US disclosed
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 EP disclosed
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 EP disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 WO disclosed