SCHEMBL22863196

SCHEMBL22863196

COc1c(C(C)(C)C)cc2c(c1-c1cc(C)cc(C)c1)C[C@@H](C)C2=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.42
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR2 P34972 4/20 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
SCHEMBL20180147 1.00 ACHE (0.42) ACHEPTGS2ALDH1A1TSHRTDP1
SCHEMBL20165703 1.00 ACHE (0.42) ACHEPTGS2ALDH1A1TSHRTDP1
SCHEMBL27433076 0.91 ACHE (0.45) ACHEPTGS2ALDH1A1TSHRTDP1
SCHEMBL14645803 0.88 ACHE (0.42) ACHEPTGS2
SCHEMBL14645764 0.85 ACHE (0.45) ACHE
SCHEMBL27432437 0.85 ACHE (0.42) ACHEPTGS2ALDH1A1TSHRTDP1
SCHEMBL31342804 0.85
SCHEMBL20165758 0.85 ACHE (0.40) ACHEPTGS2
SCHEMBL31355494 0.85 CNR2 (0.33) CNR2
SCHEMBL21451184 0.85 CNR2 (0.33) CNR2

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
US-20210002397-A1 PROCESS FOR PREPARING PROPYLENE COPOLYMERS COMPRISING C4-C12-APHA OLEFIN COMONOMER UNITS BOREALIS AG (AT) 2021-01-07 US disclosed