SCHEMBL27718907

SCHEMBL27718907

O=C(OC1=CC=CC=CN1)C(=O)OC1CCCCCCCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
STS P08842 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.34
MMP9 P14780 2/20 0.34
MMP12 P39900 2/20 0.34
MMP1 P03956 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MMP2 P08253 1/20 0.33
GPR35 Q9HC97 1/20 0.32
CYP19A1 P11511 1/20 0.32
EPHX1 P07099 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL28183889 0.74 ALDH1A1 (0.49) RAB9AALDH1A1EPHX1FAAHMGLL
SCHEMBL28194974 0.73 KMT2A (0.47) SMN1; SMN2MAPTHTTALDH1A1
SCHEMBL2999385 0.70 EPHX1 (0.54) FABP7FABP5SMN1; SMN2HTTMMP9
SCHEMBL27675582 0.69 TERT (0.34)
SCHEMBL27422026 0.68 MEN1 (0.32)
SCHEMBL27340494 0.68 GAA (0.35) SMN1; SMN2LMNAMAPTRAB9AALDH1A1
SCHEMBL11591531 0.68 EPHX1 (0.50) FABP7FABP5STSHTTMMP9
SCHEMBL27861553 0.67
SCHEMBL27972706 0.67
SCHEMBL2886329 0.66 ALDH1A1 (0.53) FABP7FABP5SMN1; SMN2MMP9MMP12

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
CN-101160292-B Synthesis of cyclen derivatives GE HEALTHCARE AS 2010-11-03 CN disclosed
CN-101160292-A Synthesis of cyclen derivatives GE HEALTHCARE AS (NO) 2008-04-09 CN disclosed