SCHEMBL29038579

SCHEMBL29038579

CC(C)CCCCCNC(=O)N1C=Cc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.52
HDAC3 O15379 1/20 0.41

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
SCHEMBL29038577 0.87 NAMPT (0.62) NAMPTHDAC3
SCHEMBL16268687 0.81 NAMPT (0.47) NAMPTHDAC3
SCHEMBL30468287 0.80 HDAC3 (0.40) NAMPTHDAC3
SCHEMBL28245942 0.79 HDAC3 (0.43) NAMPTHDAC3
Hydrochloric Acid SCHEMBL991577 0.77 HDAC3 (0.42) NAMPTHDAC3
SCHEMBL16268685 0.76 P2RX4 (0.50) NAMPTHDAC3
SCHEMBL15056529 0.73 P2RX4 (0.39) NAMPTHDAC3
SCHEMBL3926710 0.73 SDCBP (0.43) HDAC3
SCHEMBL3926713 0.73 SDCBP (0.43) HDAC3
SCHEMBL3628702 0.71 P2RX4 (0.46) NAMPTHDAC3

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-116479237-A Extractant, preparation method and application thereof 中国科学院过程工程研究所 2023-07-25 CN claimed
CN-116479237-A Extractant, preparation method and application thereof 中国科学院过程工程研究所 2023-07-25 CN disclosed