SCHEMBL29017341

SCHEMBL29017341

CCCCCC1(CO)CCCN(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
POLB P06746 2/20 0.60
KMT2A Q03164 4/20 0.53
LMNA P02545 4/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL28911881 0.85 ALDH1A1 (0.68) ALDH1A1POLBKMT2ALMNAKDM4E
SCHEMBL29017338 0.81 ALDH1A1 (0.79) ALDH1A1POLBKMT2ALMNAKDM4E
SCHEMBL14377717 0.81 ALDH1A1 (0.57) ALDH1A1POLBKMT2ALMNAKDM4E
SCHEMBL32670527 0.80 ALDH1A1 (0.57) ALDH1A1POLBKMT2ALMNAKDM4E
SCHEMBL19779269 0.77 POLB (0.55) ALDH1A1POLBKMT2ALMNAKDM4E
SCHEMBL568134 0.77 ALDH1A1 (0.58) ALDH1A1POLBLMNAKDM4EGAA
SCHEMBL568133 0.77 ALDH1A1 (0.58) ALDH1A1POLBLMNAKDM4EGAA
SCHEMBL20955881 0.77 ALDH1A1 (0.59) ALDH1A1POLBKMT2ALMNAKDM4E
SCHEMBL20955882 0.77 ALDH1A1 (0.59) ALDH1A1POLBKMT2ALMNAKDM4E
SCHEMBL9234156 0.77 ALDH1A1 (0.58) ALDH1A1POLBKMT2ALMNAKDM4E

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-116240194-A Limonene epoxy hydrolase mutant and catalytic synthesis of chiral oxygen/nitrogen-heterocyclic compound thereof 中国科学院天津工业生物技术研究所 2023-06-09 CN claimed
CN-116240194-A Limonene epoxy hydrolase mutant and catalytic synthesis of chiral oxygen/nitrogen-heterocyclic compound thereof 中国科学院天津工业生物技术研究所 2023-06-09 CN disclosed