SCHEMBL8532909

SCHEMBL8532909

[CH2]c1cn(P(=O)(OCC)OCC)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 1/20 0.35
NR1I2 O75469 2/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
ACHE P22303 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
NR4A2 P43354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PTGER4 P35408 1/20 0.32
ELANE P08246 1/20 0.32
MAPT P10636 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
SCHEMBL8532912 0.83 MEN1 (0.39) LMNAKDM4EHPGDNPSR1KCNH2
SCHEMBL8530790 0.83 KMT2A (0.36) LMNAKDM4EHPGDALDH1A1NR4A2
SCHEMBL8531617 0.77 NR4A2 (0.37) LMNAKDM4EHPGDNPSR1KCNH2
SCHEMBL8527729 0.74 POLB (0.33) KDM4ENPSR1ALDH1A1POLBNR4A2
SCHEMBL26699768 0.74 LMNA (0.42) LMNAKDM4EHPGDNPSR1KCNH2
SCHEMBL6283431 0.69 L3MBTL1 (0.53) LMNAKDM4EHPGDALDH1A1POLB
SCHEMBL8527744 0.67 NR4A2 (0.38) LMNANPSR1POLBNR4A2L3MBTL1
SCHEMBL3621031 0.66 NR4A2 (0.50) LMNAALDH1A1POLBNR4A2MAPT
SCHEMBL25778591 0.65 HTR6 (0.52)
SCHEMBL8528642 0.65 ALDH1A1 (0.67) LMNAKDM4EHPGDNPSR1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed