SCHEMBL8044989

SCHEMBL8044989

CCOC(=O)CCCCC(C#N)(c1ccccc1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNA3 P22001 1/20 0.40
OPRM1 P35372 1/20 0.40
CCR1 P32246 1/20 0.40
LMNA P02545 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
TBXAS1 P24557 3/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 2/20 0.38
CYP2D6 P10635 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
PGR P06401 1/20 0.38
THRB P10828 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL8035702 0.99 SMN1; SMN2 (0.40) SMN1; SMN2MEN1GAAKMT2AKCNA3
SCHEMBL8891230 0.92 SMN1; SMN2 (0.43) SMN1; SMN2MEN1GAAKMT2AKCNA3
SCHEMBL8046235 0.87 OPRM1 (0.49) SMN1; SMN2KCNA3OPRM1CCR1CYP4F2
SCHEMBL8049892 0.86 OPRM1 (0.48) SMN1; SMN2KCNA3OPRM1CCR1CYP4F2
SCHEMBL8044856 0.86 OPRM1 (0.48) SMN1; SMN2KCNA3OPRM1CCR1CYP4F2
SCHEMBL31585050 0.86 SMN1; SMN2 (0.41) SMN1; SMN2MEN1GAAKMT2AKCNA3
SCHEMBL7830375 0.84 OPRM1 (0.50) SMN1; SMN2KCNA3OPRM1CCR1CYP4F2
SCHEMBL8052916 0.82 HDAC6 (0.41) CCR1BLMCYP2D6SLC22A2SLC22A1
SCHEMBL8044839 0.81 CYSLTR2 (0.45) SMN1; SMN2MEN1KMT2AKCNA3OPRM1
SCHEMBL8035219 0.81 ALOX5 (0.39) SMN1; SMN2KCNA3OPRM1CYP4F2CYP4A11

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-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed