SCHEMBL29017487

SCHEMBL29017487

C=CCNCCC1(c2ccccc2)COC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ICMT O60725 9/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.34
OPRM1 P35372 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL29017389 0.83 OPRM1 (0.32) OPRM1
SCHEMBL29017367 0.78 OPRM1 (0.50) OPRM1ALDH1A1GAAKMT2AMAOA
SCHEMBL29017397 0.76 ICMT (0.40) ICMTHTTOPRM1MAOAMAOB
SCHEMBL29017373 0.76 SIGMAR1 (0.41) ICMTOPRM1ALDH1A1
SCHEMBL29017415 0.74 ICMT (0.63) ICMT
SCHEMBL5031526 0.73 MAOA (0.41) ICMTOPRM1MAOAMAOBTAAR1
SCHEMBL5480204 0.70 HTT (0.37) ADRB2ADRB1LMNAHTTKDM4E
SCHEMBL29017417 0.70 OPRM1 (0.63) OPRM1KDM4EALDH1A1KMT2A
SCHEMBL29017382 0.70 HTR1A (0.61) ICMTHTTOPRM1ALDH1A1KMT2A
SCHEMBL29017405 0.70 MAOB (0.50) OPRM1KDM4EMAOAMAOBTAAR1

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-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