SCHEMBL6682548

SCHEMBL6682548

NCCCCCCC[PH](=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
BLM P54132 2/20 0.44
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
PLG P00747 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL4615822 1.00
SCHEMBL9307288 1.00 DNM1 (0.44) DNM1CA12CA1CA2CA3
SCHEMBL6614504 1.00 DNM1 (0.44) DNM1CA12CA1CA2CA3
Hydrochloric Acid SCHEMBL6023728 0.97 DNM1 (0.42) DNM1CA12CA1CA2CA3
SCHEMBL341868 0.97
SCHEMBL341549 0.88
Phosphonic Acid SCHEMBL8612224 0.82 DNM1 (0.57) DNM1CA12CA1CA2CA3
Phosphonic Acid SCHEMBL3029099 0.82 DNM1 (0.57) DNM1CA12CA1CA2CA3
SCHEMBL2519667 0.82
Butane SCHEMBL27839119 0.79 DNM1 (0.38) DNM1LMNATSHRBLMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3341479-B1 LNA-G PROCESS ROCHE INNOVATION CT COPENHAGEN AS (DK) 2019-12-18 EP disclosed
US-20190055550-A1 LNA-G Process ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2019-02-21 US disclosed
EP-1000071-B1 GABA-C RECEPTOR ANTAGONISTS FOR STIMULATING MEMORY CAPACITY POLYCHIP PHARMACEUTICALS PTY (AU) 2004-11-17 EP disclosed
US-6632806-B1 Administering compound having selective GABAc receptor antagonist activity THE UNIVERSITY OF SYDNEY (AU) 2003-10-14 US disclosed
EP-1000071-A4 NEUROLOGICALLY-ACTIVE COMPOUNDS POLYCHIP PHARMACEUTICALS PTY (AU) 2001-02-28 EP disclosed
EP-1000071-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS Polychip Pharmaceuticals Pty. Ltd. (AU) 2000-05-17 EP disclosed
WO-1998058939-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS POLYCHIP PHARMACEUTICALS PTY. LTD. (AU) 1998-12-30 WO disclosed