SCHEMBL4754122

SCHEMBL4754122

CC(NC(=O)O)C(C)C(=O)NCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
TACR3 P29371 1/20 0.47
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL739486 0.81 TSHR (0.66) TSHRALDH1A1TDP1POLBNPSR1
SCHEMBL14296911 0.80 TSHR (0.62) TSHRALDH1A1TDP1POLBNPSR1
SCHEMBL12310311 0.78 TSHR (0.62) TSHRALDH1A1TDP1POLBNPSR1
SCHEMBL12310314 0.78 TSHR (0.62) TSHRALDH1A1TDP1POLBNPSR1
SCHEMBL13573035 0.78 TSHR (0.62) TSHRALDH1A1TDP1POLBNPSR1
SCHEMBL6443366 0.77 TSHR (0.58) TSHRALDH1A1TDP1TACR3NPSR1
SCHEMBL6443372 0.77 TSHR (0.58) TSHRALDH1A1TDP1TACR3NPSR1
SCHEMBL6443369 0.77 TSHR (0.58) TSHRALDH1A1TDP1TACR3NPSR1
SCHEMBL166433 0.77 TDP1 (0.58) TSHRALDH1A1TDP1POLBLMNA
Trifluoroacetic Acid SCHEMBL4755590 0.76 TSHR (0.51) TSHRALDH1A1TDP1TACR3NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317944-A Acyclic lipids and methods of use thereof 雷纳嘉德医疗管理公司 2024-07-09 CN disclosed
CN-118234707-A Cyclic lipids and methods of use thereof 雷纳嘉德医疗管理公司 2024-06-21 CN disclosed
WO-2008155141-A2 NOVEL FACULTATIVE CATONIC STEROLS NOVOSOM AG (DE) 2008-12-24 WO disclosed