SCHEMBL28110573

SCHEMBL28110573

Cc1ccc2c(c1)CC(S)C2=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.54
ACHE P22303 1/20 0.47
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
CYP19A1 P11511 2/20 0.40
MAOB P27338 7/20 0.38
MAOA P21397 1/20 0.38
AADAT Q8N5Z0 1/20 0.37
ELANE P08246 1/20 0.37
SRD5A1 P18405 1/20 0.36

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
SCHEMBL2484416 0.79 ACHE (0.73) METAP1ACHEHTR2AHTR2CHTR2B
SCHEMBL6972986 0.78 METAP1 (0.54) METAP1ACHEHTR2AHTR2CHTR2B
SCHEMBL14939019 0.78 METAP1 (0.54) METAP1ACHEHTR2AHTR2CHTR2B
SCHEMBL11563001 0.78 METAP1 (0.53) METAP1HTR2AHTR2CHTR2BAADAT
SCHEMBL15617637 0.74 METAP1 (0.66) METAP1ACHEHTR2AHTR2CHTR2B
SCHEMBL14339926 0.74 METAP1 (0.50) METAP1ACHEHTR2AHTR2CHTR2B
SCHEMBL14019342 0.74 METAP1 (0.61) METAP1ACHEHTR2AHTR2CCYP19A1
SCHEMBL15617649 0.73 METAP1 (0.49) METAP1ACHEHTR2AHTR2CHTR2B
SCHEMBL14939596 0.73 CYP19A1 (0.60) METAP1ACHECYP19A1MAOBELANE
Acetic Acid SCHEMBL28154653 0.73 ACHE (0.63) METAP1ACHEHTR2AHTR2CHTR2B

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-103998422-B Cyclopentanedione oxime ester and application thereof 北京英力科技发展有限公司 2016-11-30 CN disclosed