SCHEMBL29017331

SCHEMBL29017331

COc1ccc(C2C(CO)CCCN2Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
HRH2 P25021 1/20 0.50
SPHK2 Q9NRA0 1/20 0.50
RORC P51449 1/20 0.48

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
SCHEMBL29017343 0.85 RORC (0.46) SPHK2RORC
SCHEMBL29017337 0.84 SPHK2 (0.46) SIGMAR1SPHK2RORC
SCHEMBL29017483 0.81 SPHK1 (0.44) SIGMAR1SPHK2RORC
SCHEMBL27078273 0.80 SPHK2 (0.56) SIGMAR1HRH2SPHK2
SCHEMBL28312282 0.80 OPRK1 (0.61) SIGMAR1HRH2RORC
SCHEMBL11477757 0.78 FPR1 (0.48) SPHK2
SCHEMBL6243004 0.78 SIGMAR1 (0.51) SIGMAR1HRH2RORC
SCHEMBL6236471 0.78 SIGMAR1 (0.51) SIGMAR1HRH2RORC
SCHEMBL23501437 0.75 SIGMAR1 (0.56) SIGMAR1HRH2
SCHEMBL28205556 0.75 OPRK1 (0.61) SIGMAR1HRH2SPHK2

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