SCHEMBL7967461

SCHEMBL7967461

COc1ccc2c(c1)C(O)(C(=O)O)CCC2.COc1ccc2c(c1)C(O)(C(=O)O)CCC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.52
SIGMAR1 Q99720 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
KDM1A O60341 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CXCR5 P32302 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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 1.00 POLA1 (0.52) POLA1SIGMAR1NPC1RAB9APOLB
SCHEMBL7366006 0.87 POLA1 (0.45) POLA1SIGMAR1NPC1RAB9APOLB
SCHEMBL7967459 0.85 POLA1 (0.45) POLA1SIGMAR1NPC1RAB9APOLB
SCHEMBL6580889 0.82 POLA1 (0.55) POLA1SIGMAR1NPC1RAB9APOLB
SCHEMBL1846867 0.81 POLA1 (0.51) POLA1SIGMAR1NPC1RAB9APOLB
SCHEMBL29587519 0.78 POLA1 (0.51) POLA1SIGMAR1KDM1AMEN1KMT2A
SCHEMBL4984411 0.78 POLA1 (0.51) POLA1SIGMAR1KDM1AMEN1KMT2A
SCHEMBL18487244 0.78 POLA1 (0.46) POLA1SIGMAR1KDM1A
SCHEMBL6580916 0.77 RAB9A (0.43) POLA1NPC1RAB9APOLBMEN1
SCHEMBL6580393 0.77 KDM1A (0.49) SIGMAR1KDM1A

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-6265397-B1 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2001-07-24 US disclosed