SCHEMBL28663286

SCHEMBL28663286

O=C(NC1CCCCC1)C1CCC(C(=O)NC2CCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
EPHX1 P07099 5/20 0.61
EPHX2 P34913 4/20 0.61
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL994458 1.00 POLB (0.61) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL124227 1.00 POLB (0.61) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL3387568 0.97 POLB (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL24606366 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL24383487 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL23946129 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL24383312 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL24202656 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL23946128 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1
SCHEMBL22790899 0.95 MAPT (0.64) POLBEPHX1EPHX2ALDH1A1NPC1

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
CN-113621175-B Efficient isotactic polypropylene beta-crystal form nucleating agent and preparation method and application thereof 中国科学院化学研究所 2022-10-18 CN disclosed
CN-113621175-A Efficient isotactic polypropylene beta-crystal form nucleating agent and preparation method and application thereof 中国科学院化学研究所 2021-11-09 CN disclosed