SCHEMBL1744116

SCHEMBL1744116

C=CC(C)(C)C1Oc2ccccc2O1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL406201 0.75 LTA4H (0.36) NISCH
SCHEMBL14372921 0.68 PKM (0.36) NISCH
SCHEMBL7765721 0.66 HRH3 (0.34) NISCH
SCHEMBL3652062 0.62 CA2 (0.31)
SCHEMBL10687434 0.62 P2RX4 (0.33) NPC1RAB9A
SCHEMBL446185 0.61 ABCG2 (0.36) NISCH
SCHEMBL353825 0.61 PARP1 (0.40) NISCH
SCHEMBL1107770 0.61 POLB (0.43) NISCH
SCHEMBL8525523 0.61 POLB (0.43) NISCH
SCHEMBL11404710 0.61 CA2 (0.41) NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385934-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE (PI3) AND INDUCERS OF NITRIC OXIDE (NO) Council of Scientific & Industrial Research (IN) 2011-11-16 EP disclosed
US-8041964-B2 Ultra low power wake-up circuit COVIDIEN AG (CH) 2011-10-18 US disclosed