SCHEMBL16062676

SCHEMBL16062676

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ DGKA P23743 1/20 0.36
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CXCR4 P61073 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL16062668 0.95 ALDH1A1 (0.35) HRH2HRH1DGKAPRSS1PRSS2
SCHEMBL14651718 0.95 HRH2 (0.38) HRH2HRH1DGKAMEN1KMT2A
SCHEMBL16062670 0.95 HRH2 (0.40) HRH2HRH1DGKAPRSS1PRSS2
SCHEMBL14012680 0.92 MEN1 (0.38) HRH2HRH1MEN1KMT2AALDH1A1
SCHEMBL14012683 0.92 MEN1 (0.38) HRH2HRH1MEN1KMT2AALDH1A1
SCHEMBL14012692 0.92 MEN1 (0.38) HRH2HRH1MEN1KMT2AALDH1A1
SCHEMBL22743444 0.86 HRH2 (0.42) HRH2HRH1MEN1KMT2AEPHX2
SCHEMBL14012685 0.86 MEN1 (0.45) HRH2HRH1MEN1KMT2AALDH1A1
SCHEMBL16062675 0.86 MEN1 (0.45) HRH2HRH1MEN1KMT2AALDH1A1
SCHEMBL16062673 0.83 HRH2 (0.36) HRH2HRH1DGKAMEN1KMT2A

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
Send feedback