SCHEMBL16062668

SCHEMBL16062668

O=C(CCCCCOC(=O)COC(=O)CCN1CCN(CCC(=O)OCOC(=O)CCN2CCNCC2)CC1)OCCOC(=O)COC(=O)COC(=O)CN1CCN(CCC(=O)OCOC(=O)CCN2CCNCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ DGKA P23743 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ EPHX2 P34913 2/20 0.31
▸ MAPT P10636 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL16062676 0.95 HRH2 (0.37) ALDH1A1SMN1; SMN2HRH2HRH1MEN1
SCHEMBL14651718 0.90 HRH2 (0.38) ALDH1A1SMN1; SMN2HRH2HRH1MEN1
SCHEMBL16062670 0.90 HRH2 (0.40) ALDH1A1SMN1; SMN2HRH2HRH1MEN1
SCHEMBL14012683 0.88 MEN1 (0.38) ALDH1A1SMN1; SMN2HRH2HRH1MEN1
SCHEMBL14012692 0.88 MEN1 (0.38) ALDH1A1SMN1; SMN2HRH2HRH1MEN1
SCHEMBL14012680 0.88 MEN1 (0.38) ALDH1A1SMN1; SMN2HRH2HRH1MEN1
SCHEMBL22743444 0.82 HRH2 (0.42) ALDH1A1SMN1; SMN2HRH2HRH1MEN1
SCHEMBL14012685 0.82 MEN1 (0.45) ALDH1A1SMN1; SMN2HRH2HRH1MEN1
SCHEMBL16062675 0.82 MEN1 (0.45) ALDH1A1SMN1; SMN2HRH2HRH1MEN1
SCHEMBL16062673 0.80 HRH2 (0.36) ALDH1A1SMN1; SMN2HRH2HRH1MEN1

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-8835492-B2 Temperature and pH sensitive block copolymer and polymeric hydrogels using the same SUNGYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2014-09-16 — — US disclosed
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