SCHEMBL31472465

SCHEMBL31472465

COc1cnc(C(C)C)cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 11/20 0.53
SIRT6 Q8N6T7 1/20 0.42
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
NNMT P40261 2/20 0.33
CYP2A6 P11509 1/20 0.32

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
SCHEMBL179314 1.00 APLNR (0.53) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL20207483 0.83 APLNR (0.50) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL19965678 0.83 APLNR (0.50) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL24920783 0.83 APLNR (0.58) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL15157218 0.83 APLNR (0.54) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL21097069 0.80 ALDH1A1 (0.39) APLNR
SCHEMBL5950443 0.80 NOS3 (0.33) APLNR
SCHEMBL3138241 0.80 SIRT6 (0.56) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL19551084 0.79 APLNR (0.47) APLNRSIRT6TUBB4ATUBBTUBA3C
SCHEMBL9885039 0.79 APLNR (0.47) APLNRSIRT6TUBB4ATUBBTUBA3C

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
JP-2025012223-A FLAVOR IMPROVER 長谷川香料株式会社 2025-01-24 JP disclosed