SCHEMBL28514264

SCHEMBL28514264

CC1(C)Cc2cccc(OC[C]=O)c2O1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
LMNA P02545 2/20 0.54
NPC1 O15118 3/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
RAB9A P51151 2/20 0.52

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
SCHEMBL5783680 0.82 ALDH1A1 (0.57) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL7935652 0.81 LMNA (0.58) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL17525886 0.79 NPC1 (0.56) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL5495355 0.79 ALDH1A1 (0.68) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL6729462 0.78 ALDH1A1 (0.54) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL14359479 0.78 NPC1 (0.55) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL31276466 0.78 NPC1 (0.58) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL7963661 0.78 NPC1 (0.55) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL7819650 0.78 NPC1 (0.55) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL10529630 0.78 ALDH1A1 (0.57) ALDH1A1LMNANPC1POLBMAPT

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-108690008-B 1,3, 4-oxadiazole compound containing benzofuranyl 湖南博隽生物医药有限公司 2021-01-29 CN disclosed
CN-108690008-B 1,3, 4-oxadiazole compound containing benzofuranyl 湖南博隽生物医药有限公司 2021-01-29 CN disclosed