SCHEMBL28005805

SCHEMBL28005805

CC(C)(C)N1CCN(Cc2ccccc2)CC1=C=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
MC4R P32245 1/20 0.45
LMNA P02545 4/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
DRD4 P21917 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL17342255 0.81 SIGMAR1 (0.52) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL6632851 0.71 POLB (0.55) SIGMAR1LMNAPOLBALDH1A1KMT2A
SCHEMBL3031725 0.70 SIGMAR1 (0.58) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL855234 0.70 SIGMAR1 (0.69) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL10554161 0.70 SIGMAR1 (0.69) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL28140382 0.69 SIGMAR1 (0.52) SIGMAR1MC4RALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL4074661 0.68 SIGMAR1 (0.67) SIGMAR1MC4RLMNAPOLBALDH1A1
SCHEMBL28943551 0.68 SIGMAR1 (0.48) SIGMAR1LMNAPOLBALDH1A1KMT2A
SCHEMBL1415730 0.68 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL576868 0.68 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104478912-A Method for preparing saturated potassium azacyclo-trifluoroborates CHENGDU ASLEE BIOPHARMACEUTICALS INC 2015-04-01 CN disclosed