SCHEMBL7731793

SCHEMBL7731793

CC(=O)[C]1CC(C)CCC1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 2/20 0.31

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
SCHEMBL4815133 0.85 NPC1 (0.40) EPHX1NPC1L3MBTL1MEN1ALDH1A1
SCHEMBL11291779 0.80 ALDH1A1 (0.35) EPHX1NPC1L3MBTL1MEN1ALDH1A1
SCHEMBL4379358 0.78 NPC1 (0.35) NPC1L3MBTL1ALDH1A1
Menthone SCHEMBL28849343 0.76 NPC1 (0.42) EPHX1NPC1L3MBTL1MEN1ALDH1A1
Menthone SCHEMBL31534032 0.76 NPC1 (0.42) EPHX1NPC1L3MBTL1MEN1ALDH1A1
SCHEMBL1697828 0.73 TRPA1 (0.35) EPHX1NPC1L3MBTL1TRPA1TRPM8
Rel-Menthone SCHEMBL21711 0.71 TLR4 (0.39) NPC1L3MBTL1TRPA1TRPM8
Menthone SCHEMBL13255148 0.71 TLR4 (0.39) NPC1L3MBTL1TRPA1TRPM8
Menthone SCHEMBL901274 0.71 TLR4 (0.39) NPC1L3MBTL1TRPA1TRPM8
Menthone SCHEMBL21709 0.71 TLR4 (0.39) NPC1L3MBTL1TRPA1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810000-B Menthyl syringate and preparation method and application thereof 安庆师范大学 2022-04-15 CN claimed
US-6399272-B1 Phenylenediamine derivative-type additive useful for a chemically amplified photoresist HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-06-04 US claimed
CN-109810000-B Menthyl syringate and preparation method and application thereof 安庆师范大学 2022-04-15 CN disclosed
CN-109810000-B Menthyl syringate and preparation method and application thereof 安庆师范大学 2022-04-15 CN disclosed
US-6399272-B1 Phenylenediamine derivative-type additive useful for a chemically amplified photoresist HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-06-04 US disclosed