SCHEMBL21113622

SCHEMBL21113622

CCCCc1ccccc1/N=C(\C)c1cccc(C(C)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BID P55957 5/20 0.35
MCL1 Q07820 5/20 0.35
BCL2L1 Q07817 4/20 0.35
BAK1 Q16611 4/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
SAE1 Q9UBE0 2/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
CYP1A2 P05177 1/20 0.34
NOS3 P29474 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
SCHEMBL18543925 0.93 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9LMNAHTT
SCHEMBL21113660 0.92 CYP1A2 (0.36) CYP3A4CYP2D6CYP2C9LMNAHTT
SCHEMBL21113707 0.88 SIGMAR1 (0.41) LMNAHTTSMN1; SMN2CYP1A2NOS3
SCHEMBL2548184 0.85 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9LMNAHTT
SCHEMBL2548183 0.85 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C9LMNAHTT
SCHEMBL18543904 0.85 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9LMNAHTT
Hydrochloric Acid SCHEMBL2548838 0.83 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9LMNAHTT
Hydrochloric Acid SCHEMBL2548833 0.83 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9LMNAHTT
SCHEMBL5144785 0.82 SIGMAR1 (0.45) LMNAHTTSMN1; SMN2CYP1A2NOS3
SCHEMBL5144787 0.82 SIGMAR1 (0.45) LMNAHTTSMN1; SMN2CYP1A2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517555-B1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2024-11-27 EP claimed
EP-3517555-A1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF China Petroleum&Chemical Corporation (CN) 2019-07-31 EP claimed
US-20190211119-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST, AND USE THEREOF BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-07-11 US claimed
EP-3517555-B1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2024-11-27 EP disclosed
US-11325994-B2 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-05-10 US disclosed
EP-3517555-A1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF China Petroleum&Chemical Corporation (CN) 2019-07-31 EP disclosed
US-20190211119-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST, AND USE THEREOF BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-07-11 US disclosed