SCHEMBL16363476

SCHEMBL16363476

O=C(O)C(=O)OCCN1CCN(CCOC(=O)C(=O)OCC2CCC(CO)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.35
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNB4 P30926 2/20 0.33
▸ CHRNA3 P32297 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ KDM4E B2RXH2 7/20 0.32
▸ ALDH1A1 P00352 6/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ JMJD6 Q6NYC1 1/20 0.30
▸ SLC29A1 Q99808 1/20 0.30
▸ TDP1 Q9NUW8 2/20 0.30

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
SCHEMBL17159422 0.83 LMNA (0.39) —
SCHEMBL13819829 0.76 CARM1 (0.36) SLC18A3CARM1PRMT6SMN1; SMN2JMJD6
SCHEMBL16363479 0.72 ALDH1A1 (0.43) SLC18A3KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16363475 0.70 LMNA (0.33) ALDH1A1SMN1; SMN2
SCHEMBL4892711 0.69 LMNA (0.41) —
SCHEMBL9345661 0.67 CARM1 (0.42) CARM1PRMT6CHRNB2CHRNB4CHRNA3
SCHEMBL12446343 0.66 LMNA (0.38) ALDH1A1
SCHEMBL154983 0.65 ALDH1A1 (0.53) ALDH1A1
SCHEMBL9344986 0.65 HTR4 (0.42) CARM1PRMT6CHRNB2CHRNB4CHRNA3
SCHEMBL7186641 0.63 LMNA (0.37) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

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-8920793-B2 Biodegradable PAOX polymer particle with cationic property INDUSTRIAL COOPERATION FOUNDATION CHONBUK NATIONAL UNIVERSITY (KR) 2014-12-30 — — US disclosed
Send feedback