SCHEMBL29017334

SCHEMBL29017334

Cc1ccc(C2(CO)CCCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 4/20 0.50
CYP2D6 P10635 6/20 0.49
TSHR P16473 3/20 0.47
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
KMT2A Q03164 2/20 0.44
OPRL1 P41146 1/20 0.43

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
SCHEMBL29017463 0.92 CYP2D6 (0.52) POLBLMNAALDH1A1CYP2D6TSHR
SCHEMBL29017340 0.92 CYP2D6 (0.52) POLBLMNAALDH1A1CYP2D6TSHR
SCHEMBL29017395 0.90 ALDH1A1 (0.48) POLBLMNAALDH1A1CYP2D6TSHR
SCHEMBL29017377 0.88 CCR3 (0.57) POLBLMNAALDH1A1CYP2D6TSHR
SCHEMBL29017446 0.88 POLB (0.48) POLBLMNAALDH1A1CYP2D6TSHR
SCHEMBL30372833 0.88 POLB (0.48) POLBLMNAALDH1A1CYP2D6TSHR
SCHEMBL29017359 0.87 CACNA1G (0.56) POLBALDH1A1CYP2D6SIGMAR1KMT2A
SCHEMBL29017434 0.86 CYP2D6 (0.57) POLBALDH1A1CYP2D6TSHRCYP3A4
SCHEMBL8751541 0.83 KDM4E (0.56) POLBLMNAALDH1A1CYP2D6TSHR
SCHEMBL2511840 0.78 KMT2A (0.55) POLBKDM4EKMT2AOPRL1

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