SCHEMBL7366006

SCHEMBL7366006

COc1ccc2c(c1)C(O)(C(=O)OC(=O)C1(O)CCCc3ccc(OC)cc31)CCC2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.45
KDM1A O60341 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5396757 0.87 POLA1 (0.52) POLA1KDM1ASIGMAR1NPC1POLB
SCHEMBL7967461 0.87 POLA1 (0.52) POLA1KDM1ASIGMAR1NPC1POLB
SCHEMBL7967459 0.83 POLA1 (0.45) POLA1KDM1ASIGMAR1NPC1POLB
SCHEMBL29587519 0.77 POLA1 (0.51) POLA1KDM1ASIGMAR1CYP2C19CYP2C9
SCHEMBL4984411 0.77 POLA1 (0.51) POLA1KDM1ASIGMAR1CYP2C19CYP2C9
SCHEMBL7172371 0.77 SMN1; SMN2 (0.56) POLA1KDM1ASIGMAR1SMN1; SMN2NPC1
SCHEMBL6580889 0.75 POLA1 (0.55) POLA1KDM1ASIGMAR1SMN1; SMN2NPC1
SCHEMBL9252967 0.75 KDM1A (0.50) POLA1KDM1ASIGMAR1CYP2C19CYP2C9
SCHEMBL1846867 0.74 POLA1 (0.51) POLA1KDM1ASIGMAR1NPC1POLB
SCHEMBL12930797 0.74 POLA1 (0.43) POLA1KDM1ASIGMAR1CYP2C19CYP2C9

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-6265397-B1 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-1012140-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2000-06-28 EP disclosed
WO-1998057932-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed