SCHEMBL29017338

SCHEMBL29017338

OCC1(Cc2ccccc2)CCCN(Cc2ccccc2)C1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.79
POLB P06746 2/20 0.79
KDM4E B2RXH2 2/20 0.72
LMNA P02545 5/20 0.70
GAA P10253 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.67
TDP1 Q9NUW8 1/20 0.65
KMT2A Q03164 4/20 0.63
MEN1 O00255 2/20 0.60
MAPT P10636 1/20 0.60
ATM Q13315 1/20 0.58

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 0.92 ALDH1A1 (0.68) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL20955881 0.83 ALDH1A1 (0.59) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL20955882 0.83 ALDH1A1 (0.59) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL9233103 0.83 POLB (0.58) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL9228415 0.82 ALDH1A1 (0.58) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL5995214 0.81 POLB (0.77) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL29017341 0.81 ALDH1A1 (0.60) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL22460147 0.81 CRHBP (0.77) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL568133 0.81 ALDH1A1 (0.58) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL568134 0.81 ALDH1A1 (0.58) ALDH1A1POLBKDM4ELMNAGAA

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-116240194-B 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 2024-11-12 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 claimed
CN-116240194-B 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 2024-11-12 CN disclosed
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