SCHEMBL28644388

SCHEMBL28644388

CC(C)(CCCCCOC1CCNCC1)NC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.32
ITGA2B P08514 5/20 0.32
NAAA Q02083 1/20 0.32
GNAI3 P08754 2/20 0.31
GNAO1 P09471 2/20 0.31
GNAI1 P63096 2/20 0.31
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.30
ARG1 P05089 1/20 0.30
ARG2 P78540 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
SCHEMBL29172802 0.80 ITGB3 (0.40) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL29172680 0.80 ITGB3 (0.40) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL29172713 0.78 ITGB3 (0.41) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL29172714 0.77 EPHX2 (0.30) EPHX2
SCHEMBL29172797 0.76 ITGB3 (0.42) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL29172795 0.76 ITGB3 (0.34) ITGB3ITGA2BNAAA
SCHEMBL24476659 0.74 TSHR (0.42) NAAAGNAI3GNAO1GNAI1EPHX2
Hydrochloric Acid SCHEMBL27216614 0.73 ALDH1A1 (0.43) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL23884214 0.73 GNAI3 (0.39) NAAAGNAI3GNAO1GNAI1EPHX1
Hydrochloric Acid SCHEMBL28649285 0.72 GNAI3 (0.42) NAAAGNAI3GNAO1GNAI1EPHX2

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-113423427-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2021-09-21 CN disclosed