SCHEMBL11664017

SCHEMBL11664017

O=C(OCC1CC1)c1cccc(C(=O)OCC2CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGER1 P34995 2/20 0.40
JMJD6 Q6NYC1 1/20 0.40

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
SCHEMBL28897674 0.81 L3MBTL1 (0.50) KMT2AMEN1GAAL3MBTL1ALDH1A1
SCHEMBL15134602 0.81 CNR2 (0.58) CYP1A2KMT2AMEN1CNR2PTGER1
SCHEMBL11658293 0.75 CHRNA4 (0.42) CNR2JMJD6
SCHEMBL8447322 0.74 CARM1 (0.61) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL532785 0.74 CARM1 (0.61) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL11658002 0.74 CHRM3 (0.45)
SCHEMBL15633149 0.73 GRIN2B (0.44) POLBJMJD6
SCHEMBL11661187 0.73 MAPK1 (0.50) KMT2APOLBL3MBTL1KDM4EJMJD6
SCHEMBL2114876 0.73 CDC25B (0.52) KMT2AMAPTGAAPOLBL3MBTL1
SCHEMBL13498624 0.73 CDC25B (0.52) KMT2AMAPTGAAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4093622-A Pyridine esters of cyclopropane-carboxylic acid ZOECON CORPORATION (US) 1978-06-06 US disclosed