SCHEMBL11207345

SCHEMBL11207345

CCOC(=NO)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.49
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL11149732 0.87 TSHR (0.54) AKR1C3TSHRALDH1A1L3MBTL1POLB
SCHEMBL195278 0.80 TSHR (0.75) AKR1C3TSHRALDH1A1NPC1MEN1
SCHEMBL29619268 0.80 TSHR (0.75) AKR1C3TSHRALDH1A1NPC1MEN1
SCHEMBL6920338 0.79 MEN1 (0.44) TSHRALDH1A1NPC1MAPTMEN1
SCHEMBL28224263 0.78 ALDH1A1 (0.58) AKR1C3TSHRALDH1A1NPC1MAPT
SCHEMBL11207455 0.78 AKR1C3 (0.49) AKR1C3TSHRALDH1A1MAPTKMT2A
SCHEMBL11146578 0.78 AKR1C3 (0.52) AKR1C3TSHRALDH1A1MAPTKMT2A
SCHEMBL11143475 0.77 TSHR (0.48) TSHRALDH1A1NPC1MAPTMEN1
SCHEMBL7753073 0.77 TSHR (0.42) TSHRALDH1A1NPC1MAPTMEN1
SCHEMBL11210728 0.74 AKR1C3 (0.47) AKR1C3ALDH1A1MAPTMEN1KMT2A

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-0035291-B1 PROCESS FOR CARRYING OUT RADICAL REACTIONS AND SHAPED ARTICLES OF THE REACTION PRODUCT AKZO N.V. (NL) 1983-05-11 EP disclosed
US-4347342-A Process for initiating radical reactions employing hydroximic acid derivatives AKZONA INCORPORATED (US) 1982-08-31 US disclosed