SCHEMBL6990127

SCHEMBL6990127

COc1cc(CO)nc(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
DYRK1A Q13627 1/20 0.44
P2RX7 Q99572 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
ABCB11 O95342 1/20 0.36
CYP1A1 P04798 3/20 0.36
CYP1B1 Q16678 3/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CCR1 P32246 1/20 0.34

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
SCHEMBL25176208 0.87 DYRK1A (0.43) ALDH1A1DYRK1AP2RX7PDE4APDE4B
SCHEMBL379312 0.87 L3MBTL1 (0.40) ALDH1A1DYRK1AP2RX7PDE4APDE4B
SCHEMBL31287881 0.86 ALDH1A1 (0.41) ALDH1A1DYRK1AP2RX7PDE4APDE4B
SCHEMBL3112874 0.86 ALDH1A1 (0.41) ALDH1A1DYRK1AP2RX7PDE4APDE4B
SCHEMBL27537190 0.81 LMNA (0.45) ALDH1A1DYRK1AKDM4E
SCHEMBL3938173 0.80 BACE1 (0.42) ALDH1A1DYRK1AKDM4ECYP3A4CA1
SCHEMBL28689445 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ECYP3A4NOS3NOS1
SCHEMBL3940467 0.77 BRD4 (0.43)
SCHEMBL6165209 0.76 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4NOS3NOS1
SCHEMBL522843 0.76 ALDH1A1 (0.46) ALDH1A1CYP3A4NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119994131-A Alkaline all-iron flow battery negative electrode electrolyte and preparation method thereof 武汉国力通能源环保股份有限公司 2025-05-13 CN claimed
CN-119994131-A Alkaline all-iron flow battery negative electrode electrolyte and preparation method thereof 武汉国力通能源环保股份有限公司 2025-05-13 CN disclosed
EP-0739345-B1 CYCLIC POLYAMINES ANORMED INC (CA) 2003-04-09 EP disclosed
US-5698546-A Cyclic polyamines JOHNSON MATTHEY PUBLIC LIMTED COMPANY (GB) 1997-12-16 US disclosed
EP-0739345-A1 CYCLIC POLYAMINES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1996-10-30 EP disclosed
WO-1995018808-A1 CYCLIC POLYAMINES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1995-07-13 WO disclosed