SCHEMBL3261902

SCHEMBL3261902

CC1(C)OB(c2ccc(C(CO)N3CCOCC3)cc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
LPL P06858 8/20 0.39
LIPG Q9Y5X9 8/20 0.39
F11 P03951 1/20 0.38
OPRL1 P41146 1/20 0.37
THRB P10828 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
P2RX7 Q99572 3/20 0.35
TP53 P04637 3/20 0.35

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
SCHEMBL3261417 0.81 LTA4H (0.42) ESR2LPLLIPG
SCHEMBL3262944 0.81 LTA4H (0.42) ESR2LPLLIPG
SCHEMBL3263042 0.81 LTA4H (0.42) ESR2LPLLIPG
SCHEMBL3264000 0.78 KCNA5 (0.44) ESR2LPLLIPGF11
SCHEMBL6073275 0.74 DPP4 (0.42) OPRL1THRBSLC6A2SLC6A4SLC6A3
SCHEMBL11651599 0.74 OPRL1 (0.58) OPRL1
SCHEMBL138606 0.72 LPL (0.47) LPLLIPGTP53
SCHEMBL237794 0.72 ESR2 (0.50) ESR2LPLLIPGF11
SCHEMBL31376528 0.72 ESR2 (0.50) ESR2LPLLIPGF11
SCHEMBL24933207 0.72 ESR2 (0.35) ESR2LPLLIPGF11P2RX7

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-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed