SCHEMBL29976529

SCHEMBL29976529

CCN(CC)CCNC(=O)CC(C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.56
GAA P10253 1/20 0.52
AHCY P23526 2/20 0.49
SLC22A1 O15245 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
OPRM1 P35372 2/20 0.48
OPRK1 P41145 1/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 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
SCHEMBL127790 0.88 HPGD (0.60) HPGDALDH1A1POLBGAAAHCY
SCHEMBL19824885 0.83 HPGD (0.67) HPGDALDH1A1POLBL3MBTL1OPRM1
SCHEMBL13407923 0.76 SMN1; SMN2 (0.46) HPGDALDH1A1POLBGAAAHCY
SCHEMBL13209221 0.76 KCNH2 (0.65) HPGDALDH1A1GAAKDM4ESIGMAR1
SCHEMBL11206028 0.75 HPGD (0.60) HPGDALDH1A1POLBL3MBTL1OPRM1
Hydrochloric Acid SCHEMBL28343091 0.75 ALDH1A1 (0.50) HPGDALDH1A1GAASLC22A1OPRM1
SCHEMBL22702503 0.73 POLB (0.78) HPGDALDH1A1POLBGAAL3MBTL1
SCHEMBL2049574 0.73 HPGD (0.59) HPGDALDH1A1POLBL3MBTL1CYP3A4
SCHEMBL128617 0.73 ALOX15 (0.65) HPGDALDH1A1POLBLMNA
SCHEMBL12961786 0.72 ACKR3 (0.59) HPGDALDH1A1POLBGAAKDM4E

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-117800334-A Preparation method of lithium ion battery negative electrode material graphite-like carbon 石河子大学 2024-04-02 CN disclosed
EP-3747970-B1 WATER REPELLENT OIL REPELLENT AGENT AND METHOD FOR PRODUCING SAME, AND WATER REPELLENT OIL REPELLENT PRODUCT AND METHOD FOR PRODUCING SAME HOKUETSU CORP (JP) 2024-02-21 EP disclosed
US-11905650-B2 Water repellent oil repellent agent and method for producing same, and water repellent oil repellent product and method for producing same HOKUETSU CORPORATION (JP) 2024-02-20 US disclosed
CN-115127855-A Tool and method for rapidly detecting abrasive resistance of diamond composite sheet 中南钻石有限公司 2022-09-30 CN disclosed