SCHEMBL29017348

SCHEMBL29017348

OCC1(c2ccccc2)CCCOC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL29017424 1.00 DPP4 (0.46) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL29017378 0.89 MAOA (0.42) DPP4MAOAMAOBTAAR1L3MBTL1
SCHEMBL29017375 0.89 MAOA (0.42) DPP4MAOAMAOBTAAR1L3MBTL1
SCHEMBL24641080 0.87 MAOA (0.42) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL15577253 0.87 DPP4 (0.43) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL1561557 0.83 MAOA (0.45) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL15577265 0.82 TSHR (0.54) DPP4LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL29017350 0.81 ICMT (0.39) DPP4MAOAMAOBTAAR1L3MBTL1
SCHEMBL1152119 0.79 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL7333210 0.79 DPP4 (0.57) DPP4SLC6A4SLC6A2SLC6A3MAOA

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