SCHEMBL7101088

SCHEMBL7101088

COc1cccc2c1C(=O)C(C)C2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.64
ABCB1 P08183 1/20 0.50
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
DRD2 P14416 2/20 0.46
HTR1A P08908 1/20 0.44
TCF4 P15884 1/20 0.43
CTNNB1 P35222 1/20 0.43

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
SCHEMBL5953152 0.86 ACHE (0.59) ACHEABCB1DRD2HTR1A
SCHEMBL5951741 0.83 ACHE (0.49) ACHEABCB1
SCHEMBL5951589 0.82 ABCB1 (0.50) ACHEABCB1HTR2ADRD2HTR1A
SCHEMBL5952900 0.82 ACHE (0.48) ACHEABCB1
SCHEMBL5953021 0.82 ABCB1 (0.50) ACHEABCB1HTR2ADRD2HTR1A
SCHEMBL5952643 0.81 ACHE (0.51) ACHEABCB1HTR2AHTR2CHTR2B
SCHEMBL5952725 0.81 ACHE (0.58) ACHEHTR2AHTR2CDRD2
SCHEMBL5951611 0.81 ACHE (0.47) ACHEABCB1DRD2
SCHEMBL5951920 0.79 ABCB1 (0.47) ACHEABCB1
SCHEMBL5951777 0.79 ABCB1 (0.47) ACHEABCB1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
EP-0769940-B1 INDENE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-09-17 EP disclosed
US-6214876-B1 PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY 2001-04-10 US disclosed
EP-0769940-A4 1997-06-11 EP disclosed
EP-0769940-A1 INDENE sPLA 2? INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-02 EP disclosed
WO-1996003120-A1 INDENE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed