SCHEMBL11665281

SCHEMBL11665281

CC(=O)NCC(O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.67
▸ PKM P14618 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ MAPT P10636 5/20 0.66
▸ POLB P06746 2/20 0.66
▸ NPC1 O15118 1/20 0.60
▸ GAA P10253 2/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ ADRB2 P07550 3/20 0.50
▸ ADRB1 P08588 3/20 0.50
▸ ADRB3 P13945 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ OPRK1 P41145 1/20 0.49

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
SCHEMBL11661113 0.87 ALDH1A1 (0.64) ALDH1A1PKMMAPK1MAPTPOLB
SCHEMBL14515285 0.87 MAPT (0.59) ALDH1A1PKMMAPK1MAPTPOLB
SCHEMBL11664357 0.83 KMT2A (0.64) ALDH1A1PKMMAPK1MAPTPOLB
SCHEMBL11664728 0.83 NPC1 (0.53) ALDH1A1PKMMAPK1MAPTPOLB
SCHEMBL7270186 0.82 ALDH1A1 (0.68) ALDH1A1PKMMAPK1MAPTPOLB
SCHEMBL31257119 0.82 ADRB2 (0.68) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL12835269 0.81 CYP1A2 (0.64) ALDH1A1MAPTPOLBNPC1MEN1
SCHEMBL11665104 0.81 NPC1 (0.51) ALDH1A1PKMMAPK1MAPTPOLB
SCHEMBL6630532 0.80 MAPT (0.64) ALDH1A1MAPTMEN1KMT2AADRB2
SCHEMBL15060886 0.80 ALDH1A1 (0.70) ALDH1A1PKMMAPK1MAPTPOLB

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-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 — — US disclosed
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