SCHEMBL29017359

SCHEMBL29017359

OCC1(c2ccc(F)cc2)CCCN(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 10/20 0.56
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 3/20 0.48
DRD2 P14416 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2511840 0.92 KMT2A (0.55) CACNA1GKMT2AMEN1POLB
SCHEMBL29017340 0.92 CYP2D6 (0.52) KMT2ACYP2D6POLBALDH1A1
SCHEMBL29017463 0.92 CYP2D6 (0.52) KMT2ACYP2D6POLBALDH1A1
SCHEMBL29017377 0.88 CCR3 (0.57) KMT2AMEN1CYP2D6DRD2SIGMAR1
SCHEMBL29017334 0.87 POLB (0.51) KMT2ACYP2D6SIGMAR1POLBALDH1A1
SCHEMBL29017434 0.84 CYP2D6 (0.57) CYP2D6SIGMAR1POLBALDH1A1
SCHEMBL8751528 0.83 KDM4E (0.56) CACNA1GKMT2ACYP2D6DRD2SIGMAR1
SCHEMBL29017395 0.82 ALDH1A1 (0.48) KMT2AMEN1CYP2D6SIGMAR1POLB
SCHEMBL29017446 0.80 POLB (0.48) KMT2AMEN1CYP2D6SIGMAR1POLB
SCHEMBL30372833 0.80 POLB (0.48) KMT2AMEN1CYP2D6SIGMAR1POLB

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