SCHEMBL3114498

SCHEMBL3114498

CCCCCCOCN1C=CN(C)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 14/20 0.36
GBA1 P04062 9/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
APAF1 O14727 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CES2 O00748 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL28841362 1.00 GBA2 (0.36) GBA2GBA1MEN1THRBHTT
SCHEMBL28841399 1.00 GBA2 (0.36) GBA2GBA1MEN1THRBHTT
SCHEMBL28841364 1.00 GBA2 (0.36) GBA2GBA1MEN1THRBHTT
SCHEMBL28841347 1.00 GBA2 (0.36) GBA2GBA1MEN1THRBHTT
SCHEMBL28841382 1.00 GBA2 (0.36) GBA2GBA1MEN1THRBHTT
SCHEMBL14890270 1.00 GBA2 (0.36) GBA2GBA1MEN1THRBHTT
SCHEMBL5964481 1.00 GBA2 (0.36) GBA2GBA1MEN1THRBHTT
Hydrochloric Acid SCHEMBL5964456 0.98 GBA2 (0.35) GBA2GBA1MEN1THRBHTT
Bromide SCHEMBL11826790 0.90 LPAR2 (0.37)
Hydrochloric Acid SCHEMBL11274232 0.90 LPAR2 (0.37)

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
US-20100270211-A1 DESULFURIZATION AND DENITROGENATION WITH IONIC LIQUIDS AND METAL ION SYSTEMS SAUDI ARABIAN OIL COMPANY (SA) 2010-10-28 US disclosed