SCHEMBL29017358

SCHEMBL29017358

Cc1ccc(C2(CO)CCOC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.41
LMNA P02545 4/20 0.40
P2RX7 Q99572 4/20 0.40
ALDH1A1 P00352 4/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ICMT O60725 2/20 0.36
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL29017400 1.00 OPRM1 (0.45) OPRM1L3MBTL1POLBLMNAP2RX7
SCHEMBL9839209 0.87 LMNA (0.41) OPRM1L3MBTL1POLBLMNAALDH1A1
SCHEMBL29017439 0.83 TP53 (0.35) OPRM1L3MBTL1LMNAP2RX7ALDH1A1
SCHEMBL29017353 0.83 TP53 (0.35) OPRM1L3MBTL1LMNAP2RX7ALDH1A1
SCHEMBL29017384 0.83 P2RX7 (0.40) OPRM1L3MBTL1POLBLMNAP2RX7
SCHEMBL29017365 0.83 P2RX7 (0.40) OPRM1L3MBTL1POLBLMNAP2RX7
SCHEMBL29017330 0.83 SLC6A3 (0.42) OPRM1LMNAP2RX7ICMTSLC6A2
SCHEMBL29017376 0.83 P2RX7 (0.47) P2RX7ALDH1A1SLC6A2SLC6A3
SCHEMBL29017380 0.83 P2RX7 (0.47) P2RX7ALDH1A1SLC6A2SLC6A3
SCHEMBL29017386 0.83 SLC6A3 (0.42) OPRM1LMNAP2RX7ICMTSLC6A2

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