SCHEMBL6926733

SCHEMBL6926733

C=CCc1c(OCCCCCNC(=O)OC(C)(C)C)ccc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.45
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
CA9 Q16790 7/20 0.45
METAP2 P50579 1/20 0.43
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 6/20 0.40
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6924834 1.00 CA12 (0.45) CA12CA1CA2CA9METAP2
SCHEMBL6927334 0.96 METAP2 (0.44) CA12CA1CA2CA9METAP2
SCHEMBL6926620 0.93 METAP2 (0.43) CA12CA1CA2CA9METAP2
SCHEMBL8126220 0.88 METAP2 (0.36) CA12CA1CA2CA9METAP2
SCHEMBL6760108 0.86 LTB4R (0.45) CA12CA1CA2CA9ADRB2
SCHEMBL6762189 0.86 LTB4R (0.45) CA12CA1CA2CA9ADRB2
SCHEMBL6760621 0.85 LTB4R (0.43) CA12CA1CA2CA9ADRB2
SCHEMBL6760543 0.82 LTB4R (0.42) CA12CA1CA2CA9ADRB2
SCHEMBL6760613 0.79 ADRB2 (0.41) CA12CA1CA2CA9ADRB2
SCHEMBL6759771 0.75 LTB4R (0.41) CA12CA1CA2CA9ADRB2

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
WO-2003099810-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-12-04 WO disclosed
EP-0999856-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION Du Pont Pharmaceuticals Company (US) 2000-05-17 EP disclosed
WO-1998015295-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-16 WO disclosed