SCHEMBL29980503

SCHEMBL29980503

CC(C)Cc1ccc2c(c1)C(=O)[C@H](C)C2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.57
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
METAP1 P53582 1/20 0.35

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
SCHEMBL29979613 1.00 ACHE (0.57) ACHEGABRA1GABRB2MEN1POLB
SCHEMBL19553658 1.00 ACHE (0.57) ACHEGABRA1GABRB2MEN1POLB
SCHEMBL22553468 1.00 ACHE (0.57) ACHEGABRA1GABRB2MEN1POLB
SCHEMBL29979392 1.00 ACHE (0.57) ACHEGABRA1GABRB2MEN1POLB
SCHEMBL22553427 1.00 ACHE (0.57) ACHEGABRA1GABRB2MEN1POLB
SCHEMBL7591654 0.88 ACHE (0.49) ACHEGABRA1GABRB2MEN1POLB
SCHEMBL19553846 0.85 ACHE (0.54) ACHEMETAP1
SCHEMBL29979377 0.85 ACHE (0.54) ACHEMETAP1
SCHEMBL19553584 0.82 ACHE (0.62) ACHEMAPTMETAP1
SCHEMBL19553579 0.82 METAP1 (0.43) ACHEGABRA1GABRB2MEN1MAPT

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-109563438-B Organic compounds 奇华顿股份有限公司 2022-11-04 CN disclosed