SCHEMBL28339063

SCHEMBL28339063

C=CCOC(=O)N1C[C@@H](O)CC[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 1/20 0.35
ATM Q13315 1/20 0.35
CYP19A1 P11511 1/20 0.33
CHRM1 P11229 1/20 0.32
FAAH O00519 2/20 0.30
MGLL Q99685 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL7597723 0.87 ATM (0.50) RAB9ASIGMAR1ATMCYP19A1CHRM1
SCHEMBL5494161 0.87 ATM (0.50) RAB9ASIGMAR1ATMCYP19A1CHRM1
SCHEMBL8547165 0.87 ATM (0.50) RAB9ASIGMAR1ATMCYP19A1CHRM1
SCHEMBL7233850 0.87 ATM (0.50) RAB9ASIGMAR1ATMCYP19A1CHRM1
SCHEMBL9328664 0.87 ATM (0.50) RAB9ASIGMAR1ATMCYP19A1CHRM1
SCHEMBL9200006 0.85 CYP19A1 (0.45) SIGMAR1CYP19A1ALDH1A1
SCHEMBL28339084 0.81 RAB9A (0.44) RAB9AATMALDH1A1GAA
SCHEMBL5702004 0.81 RAB9A (0.48) RAB9ASIGMAR1CYP19A1CHRM1ALDH1A1
SCHEMBL5702051 0.81 RAB9A (0.48) RAB9ASIGMAR1CYP19A1CHRM1ALDH1A1
SCHEMBL7877679 0.81 RAB9A (0.48) RAB9ASIGMAR1CYP19A1CHRM1ALDH1A1

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-110577490-B Synthetic method of abamectin intermediate (2S,5S) -N-protecting group-5-hydroxy-2-piperidine formate 山东安信制药有限公司 2020-09-22 CN disclosed
CN-110577490-A synthetic method of abamectin intermediate (2S,5S) -N-protecting group-5-hydroxy-2-piperidine formate 齐鲁天和惠世制药有限公司 2019-12-17 CN disclosed