SCHEMBL7713617

SCHEMBL7713617

O=C(COCCO)NCCCCCCNC(=O)COCCO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 1/20 0.46
NAAA Q02083 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 6/20 0.40
CASP2 P42575 1/20 0.39
NAMPT P43490 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
EPHX2 P34913 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
SCHEMBL21099687 0.91 NAAA (0.61) FAAHNAAAMEN1KMT2AACHE
SCHEMBL11619047 0.91 NAAA (0.61) FAAHNAAAMEN1KMT2AACHE
SCHEMBL11232047 0.91 NAAA (0.61) FAAHNAAAMEN1KMT2AACHE
SCHEMBL27331406 0.89 PRMT1 (0.52) NAAATSHRMAPK1EPHX2
SCHEMBL13356683 0.89 ACHE (0.57) ALDH1A1SMN1; SMN2FAAHNAAAACHE
SCHEMBL27661517 0.89 PRMT1 (0.52) NAAATSHRMAPK1EPHX2
SCHEMBL7775670 0.86 PAOX (0.37) ALDH1A1SMN1; SMN2FAAHNAAAMEN1
SCHEMBL2943540 0.84 TSHR (0.44) ALDH1A1SMN1; SMN2FAAHNAAAMEN1
SCHEMBL22083675 0.83 DNM1 (0.50) ALDH1A1ACHETSHRKDM4E
SCHEMBL10994200 0.83 EPHX2 (0.60) ALDH1A1MEN1KMT2ATDP1EPHX2

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
US-6365172-B1 SELF-REINFORCED BIOABSORBABLE DEVICE COMPRISED OF FUSED OR SINTERED FIBERS MADE FROM BIOABSORBABLE POLYMER COMPRISING SPECIFIED POLYESTERAMIDE BIOAMIDE, INC. 2002-04-02 US disclosed
US-6120788-A Bioabsorbable triglycolic acid poly(ester-amide)s BIOAMIDE, INC. (US) 2000-09-19 US disclosed