SCHEMBL30511981

SCHEMBL30511981

COC(=O)N1N(C(=O)OC)C2(C)C=CC1(C)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 4/20 0.36
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ATM Q13315 3/20 0.32
PPME1 Q9Y570 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 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
SCHEMBL30511982 0.75 CYP3A4 (0.32) CYP3A4
SCHEMBL15139350 0.74 CYP3A4 (0.40) MAPK1CYP3A4TSHRSMN1; SMN2MEN1
SCHEMBL30697549 0.70 MAPK1 (0.36) MAPK1CYP3A4TSHRSMN1; SMN2ATM
SCHEMBL13877866 0.69 CYP3A4 (0.36) MAPK1CYP3A4MEN1KMT2A
SCHEMBL3656333 0.68 TDP1 (0.44) MAPK1CYP3A4TSHRSMN1; SMN2ATM
SCHEMBL18306966 0.68 CYP3A4 (0.39) MAPK1CYP3A4TSHRSMN1; SMN2MEN1
SCHEMBL24622155 0.61 MAPK1 (0.40) MAPK1CYP3A4TSHRSMN1; SMN2MEN1
SCHEMBL13515908 0.61 USP2 (0.43) MAPK1CYP3A4TSHRMEN1KMT2A
SCHEMBL6045009 0.61 CYP3A4 (0.42) MAPK1CYP3A4TSHRSMN1; SMN2MEN1
SCHEMBL14930639 0.60 USP2 (0.42) MAPK1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478315-A Olefin polymerization catalyst component, preparation method thereof, olefin polymerization catalyst and application thereof 中国石油天然气股份有限公司 2023-07-25 CN claimed
CN-116478315-A Olefin polymerization catalyst component, preparation method thereof, olefin polymerization catalyst and application thereof 中国石油天然气股份有限公司 2023-07-25 CN disclosed