SCHEMBL28623378

SCHEMBL28623378

CCCCCCCCCCCCCCCC(=O)OC(C)CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.65
MAPK1 P28482 5/20 0.60
MAPT P10636 4/20 0.60
TSHR P16473 4/20 0.60
CYP1A2 P05177 3/20 0.60
GMNN O75496 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HSP90AA1 P07900 2/20 0.60
BLM P54132 2/20 0.60
NR1H4 Q96RI1 2/20 0.60
TP53 P04637 1/20 0.60
CYP2C9 P11712 1/20 0.60
HIF1A Q16665 1/20 0.60
GLA P06280 1/20 0.59
PMP22 Q01453 1/20 0.59
PAM P19021 2/20 0.53
ALDH1A1 P00352 3/20 0.53
PPARG P37231 4/20 0.50

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
SCHEMBL12431977 1.00 LMNA (0.65) LMNAMAPK1MAPTTSHRCYP1A2
SCHEMBL28623376 1.00 LMNA (0.65) LMNAMAPK1MAPTTSHRCYP1A2
SCHEMBL27650788 0.98 LMNA (0.61) LMNAMAPK1MAPTTSHRCYP1A2
SCHEMBL3044276 0.93 LMNA (0.53) LMNAMAPK1MAPTTSHRCYP1A2
SCHEMBL2526939 0.91 CYP1A2 (0.49) LMNAMAPK1MAPTTSHRCYP1A2
SCHEMBL19301021 0.87 LMNA (0.73) LMNAMAPK1MAPTTSHRCYP1A2
SCHEMBL20581480 0.85 ALDH1A1 (0.44) LMNAMAPK1MAPTTSHRCYP1A2
SCHEMBL4362567 0.85 ALDH1A1 (0.44) LMNAMAPK1MAPTTSHRCYP1A2
SCHEMBL23532246 0.84 LMNA (0.62) LMNAMAPK1MAPTTSHRCYP1A2
SCHEMBL29744504 0.84 LMNA (0.62) LMNAMAPK1MAPTTSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087621-A Preparation method of (R) -3-palmitoyloxy butyric acid 南京纽邦生物科技有限公司 2021-07-09 CN claimed
CN-113087621-A Preparation method of (R) -3-palmitoyloxy butyric acid 南京纽邦生物科技有限公司 2021-07-09 CN disclosed
CN-113087621-A Preparation method of (R) -3-palmitoyloxy butyric acid 南京纽邦生物科技有限公司 2021-07-09 CN disclosed
CN-113087621-A Preparation method of (R) -3-palmitoyloxy butyric acid 南京纽邦生物科技有限公司 2021-07-09 CN disclosed