SCHEMBL7380304

SCHEMBL7380304

NN1CCCCCCCCCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1C3 P42330 1/20 0.34
MITF O75030 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL874304 1.00
SCHEMBL25124370 1.00 BRD4 (0.39) BRD4BRD2ALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL11837161 0.97 ALDH1A1 (0.37) BRD4BRD2ALDH1A1MAPTHSD17B10
SCHEMBL1278075 0.97
Hydrochloric Acid SCHEMBL909236 0.95
SCHEMBL981790 0.89
Hydrochloric Acid SCHEMBL2526119 0.86
Water SCHEMBL10814803 0.86
SCHEMBL6200695 0.82 CRBN (0.57) ALDH1A1MAPTHSD17B10L3MBTL1KDM4E
Bicarbonate SCHEMBL11614673 0.80 TSHR (0.45) BRD4BRD2ALDH1A1MAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158640-A1 Ring Closing Metathesis Approach To Produce Precursors Of Nylon 11, 12, And 13 From Oleic Acid THE UNIVERSITY OF TOLEDO (US) 2017-06-08 US disclosed
US-9221762-B2 Gas and liquid phase catalytic beckmann rearrangement of oximes to produce lactams HONEYWELL INTERNATIONAL INC. (US) 2015-12-29 US disclosed
US-20150306586-A1 GAS AND LIQUID PHASE CATALYTIC BECKMANN REARRANGEMENT OF OXIMES TO PRODUCE LACTAMS HONEYWELL INTERNATIONAL INC. (US) 2015-10-29 US disclosed
US-20150126732-A1 GAS AND LIQUID PHASE CATALYTIC BECKMANN REARRANGEMENT OF OXIMES TO PRODUCE LACTAMS HONEYWELL INTERNATIONAL INC. (US) 2015-05-07 US disclosed
US-8772476-B2 Gas and liquid phase catalytic Beckmann rearrangement of oximes to produce lactams HONEYWELL INTERNATIONAL INC. (US) 2014-07-08 US disclosed
EP-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed
WO-1998027077-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES AND THEIR USE AS ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-06-25 WO disclosed