SCHEMBL16672176

SCHEMBL16672176

COc1cccc(OCCOC(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.65
MAPK1 P28482 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 4/20 0.50
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
MAOB P27338 3/20 0.50
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL74478 0.93 NPSR1 (0.54) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL1729519 0.87 MAPK1 (0.75) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL14838113 0.85 NPSR1 (0.46) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL14559903 0.83 LMNA (0.48) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL13686326 0.83 NPSR1 (0.50) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL18355078 0.83 NPSR1 (0.47) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL20322452 0.82 SMN1; SMN2 (0.52) MAPK1L3MBTL1KMT2AALDH1A1TDP1
SCHEMBL10186609 0.81 MAPK1 (0.68) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL10597796 0.81 MAPK1 (0.68) NPSR1MAPK1L3MBTL1MEN1CYP1A2
SCHEMBL3920395 0.81 MAPK1 (0.68) NPSR1MAPK1L3MBTL1MEN1CYP1A2

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-4169904-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-04-26 EP disclosed
US-9017918-B2 Monomer, polymer, chemically amplified positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-04-28 US disclosed