SCHEMBL29017396

SCHEMBL29017396

Cc1ccc(C2(CCO)COC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.39
OPRM1 P35372 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.33
POLB P06746 1/20 0.33
MAOB P27338 4/20 0.32

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
SCHEMBL9839209 0.86 LMNA (0.41) OPRM1L3MBTL1SLC6A2SLC6A3CHRNA1
SCHEMBL29017399 0.81 SLC6A3 (0.41) ACSS2SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL29017406 0.81 SLC6A4 (0.41) ACSS2SLC6A2SLC6A3ALDH1A1SLC6A4
SCHEMBL3380377 0.81 ACSS2 (0.43) ACSS2OPRM1SLC6A2SLC6A3SMN1; SMN2
SCHEMBL16539523 0.81 ALDH1A1 (0.41) ACSS2L3MBTL1CHRNA1CHRNGCHRNB1
SCHEMBL29017425 0.81 SLC6A4 (0.43) ACSS2SLC6A3LMNAALDH1A1SMN1; SMN2
SCHEMBL30372779 0.80 ACSS2 (0.41) ACSS2OPRM1SLC6A2SLC6A3CHRNA1
SCHEMBL29017364 0.80 ACSS2 (0.41) ACSS2OPRM1SLC6A2SLC6A3CHRNA1
SCHEMBL29017400 0.75 OPRM1 (0.45) OPRM1L3MBTL1SLC6A2SLC6A3CHRNA1
SCHEMBL29017358 0.75 OPRM1 (0.45) OPRM1L3MBTL1SLC6A2SLC6A3CHRNA1

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