SCHEMBL23009285

SCHEMBL23009285

C=CCOC(=O)Nc1cccc(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.42
MGLL Q99685 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
F2R P25116 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
AGPAT2 O15120 1/20 0.40
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL5258921 0.82 MEN1 (0.49) MEN1KMT2AMAPK1MAPTHSD17B10
SCHEMBL10192014 0.81 HSD17B10 (0.53) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL160077 0.80 NPC1 (0.54) MEN1KMT2AMAPK1LMNAHSD17B10
SCHEMBL882949 0.79 MEN1 (0.54) MEN1KMT2ALMNAHPGDNPC1
SCHEMBL2281889 0.79 HPGD (0.50) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL11874201 0.79 RAB9A (0.57) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL29951102 0.79 MGLL (0.68) MAPTMGLLALDH1A1NPC1RAB9A
SCHEMBL23201123 0.79 HPGD (0.50) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL7012473 0.79 MGLL (0.47) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL6209756 0.79 MGLL (0.68) MAPTMGLLALDH1A1NPC1RAB9A

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
EP-3412279-B1 NANOSTRUCTURED GELS CAPABLE OF CONTROLLED RELEASE OF ENCAPSULATED AGENTS BRIGHAM & WOMENS HOSPITAL INC (US) 2021-02-17 EP disclosed