SCHEMBL6926620

SCHEMBL6926620

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.43
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
PDK2 Q15119 1/20 0.39
SCN9A Q15858 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RAB9A P51151 2/20 0.38
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL6927334 0.97 METAP2 (0.44) METAP2CA12CA1CA2CA9
SCHEMBL6926733 0.93 CA12 (0.45) METAP2CA12CA1CA2CA9
SCHEMBL6924834 0.93 CA12 (0.45) METAP2CA12CA1CA2CA9
SCHEMBL8126220 0.87 METAP2 (0.36) METAP2CA12CA1CA2CA9
SCHEMBL6760613 0.85 ADRB2 (0.41) CA12CA1CA2CA9ADRB2
SCHEMBL6760543 0.82 LTB4R (0.42) CA12CA1CA2CA9ADRB2
SCHEMBL6760621 0.80 LTB4R (0.43) CA12CA1CA2CA9ADRB2
SCHEMBL6760108 0.79 LTB4R (0.45) CA12CA1CA2CA9ADRB2
SCHEMBL6762189 0.79 LTB4R (0.45) CA12CA1CA2CA9ADRB2
SCHEMBL16572306 0.75 CA1 (0.48) METAP2CA12CA1CA2CA9

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
WO-2003099810-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-12-04 WO disclosed