SCHEMBL3926281

SCHEMBL3926281

COC(=O)C1=C2CC[C@@H](C2)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.36
SLC6A2 P23975 7/20 0.35
SLC6A4 P31645 1/20 0.35
ACHE P22303 1/20 0.35
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1303333 1.00 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4ACHETHRB
SCHEMBL601986 0.84
SCHEMBL3248367 0.81 ACHE (0.39) ACHEALDH1A1KMT2A
SCHEMBL28243948 0.81 ALDH1A1 (0.40) SLC6A3SLC6A2ALDH1A1MEN1KMT2A
SCHEMBL7620048 0.80 KDM4E (0.43) ALDH1A1MEN1KMT2A
SCHEMBL483936 0.80 CYP1A2 (0.33)
SCHEMBL27628712 0.79 ALDH1A1 (0.32) THRBALDH1A1
SCHEMBL19946655 0.78
SCHEMBL3373064 0.78
SCHEMBL11511270 0.77

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
WO-2007145478-A9 METHOD FOR POLYMERIZING CYCLIC OLEFIN HAVING POLAR FUNCTIONAL GROUP, OLEFIN POLYMER PRODUCED THEREBY, OPTICAL ANTISOTROPIC FILM COMPRISING THE SAME, AND CATALYST COMPOSITION FOR POLYMERIZING THE CYCLIC OLEFIN LG CHEMICAL LTD (KR) 2009-01-22 WO disclosed