SCHEMBL7967459

SCHEMBL7967459

COc1ccc2c(c1)C(O)(C(=O)OC1(C(=O)O)CCCc3ccc(OC)cc31)CCC2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.45
SIGMAR1 Q99720 2/20 0.41
CXCR5 P32302 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
KDM1A O60341 1/20 0.38
CYP2C19 P33261 1/20 0.36

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 0.85 POLA1 (0.52) POLA1SIGMAR1CXCR5MEN1KMT2A
SCHEMBL7967461 0.85 POLA1 (0.52) POLA1SIGMAR1CXCR5MEN1KMT2A
SCHEMBL7366006 0.83 POLA1 (0.45) POLA1SIGMAR1MEN1KMT2ANPC1
SCHEMBL6580889 0.74 POLA1 (0.55) POLA1SIGMAR1NPC1RAB9APOLB
SCHEMBL1846867 0.73 POLA1 (0.51) POLA1SIGMAR1CXCR5NPC1RAB9A
SCHEMBL29587519 0.70 POLA1 (0.51) POLA1SIGMAR1MEN1KMT2AKDM1A
SCHEMBL4984411 0.70 POLA1 (0.51) POLA1SIGMAR1MEN1KMT2AKDM1A
SCHEMBL7172371 0.70 SMN1; SMN2 (0.56) POLA1SIGMAR1NPC1RAB9APOLB
SCHEMBL18487244 0.70 POLA1 (0.46) POLA1SIGMAR1KDM1ACYP2C19
SCHEMBL3431949 0.69 POLA1 (0.49) POLA1SIGMAR1KDM1ACYP2C19

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