SCHEMBL9598363

SCHEMBL9598363

CC(C)OC(=O)c1ccccc1NCNc1ccccc1C(=O)OC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 3/20 0.59
▸ ADRA1D P25100 1/20 0.59
▸ ADRA1B P35368 1/20 0.59
▸ KDM4E B2RXH2 8/20 0.51
▸ GLA P06280 1/20 0.51
▸ NPC1 O15118 2/20 0.49
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.44
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA7 P43166 3/20 0.43

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
SCHEMBL10777119 0.86 ADRA1A (0.55) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL6318031 0.82 KDM4E (0.72) ADRA1AADRA1DADRA1BKDM4EGLA
SCHEMBL12812270 0.80 ALDH1A1 (0.54) ADRA1AADRA1DADRA1BKDM4ENPC1
SCHEMBL14544619 0.80 CYP2C19 (0.56) ADRA1AADRA1DADRA1BKDM4ENPC1
SCHEMBL137907 0.80 NPC1 (0.62) KDM4ENPC1ALDH1A1HPGDLMNA
SCHEMBL14521776 0.79 KDM4E (0.58) ADRA1AADRA1DADRA1BKDM4ENPC1
SCHEMBL8105194 0.79 ADRA1D (0.48) ADRA1AADRA1DADRA1BKDM4ENPC1
SCHEMBL28595770 0.77 NPC1 (0.53) ADRA1AADRA1DADRA1BKDM4ENPC1
SCHEMBL234710 0.77 TSHR (0.57) KDM4ENPC1ALDH1A1HPGDLMNA
SCHEMBL7088059 0.77 KDM4E (0.64) ADRA1AADRA1DADRA1BKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5194545-A Laminates for printed circuits, electrical coil cores or space craft PETROCHEMIE DANUBIA GESELLSCHAFT M.B.H. (AT) 1993-03-16 — — US disclosed
US-5130444-A With or without the addition of aromatic diamine; flexible, reinforcement with fibers PCD POLYMERE GESELLSCHAFT M.B.H. (AT) 1992-07-14 — — US disclosed
EP-0316775-B1 BISMALEINIMIDES AND POLYIMIDES PRODUCED THEREOF PCD-Polymere Gesellschaft m.b.H. (AT) 1992-05-20 — — EP disclosed
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