SCHEMBL8435124

SCHEMBL8435124

CCC(C)CCNC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
TSHR P16473 2/20 0.43
PAOX Q6QHF9 3/20 0.42
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA4 P43681 1/20 0.35
F13A1 P00488 1/20 0.34
FOLH1 Q04609 1/20 0.34
ANPEP P15144 1/20 0.32
RNPEP Q9H4A4 1/20 0.32

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
Propionic Acid SCHEMBL5432081 0.92 MTNR1A (0.44) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL4761459 0.87 KDM4E (0.54) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL14492895 0.87 KDM4E (0.54) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL21660387 0.84 PAOX (0.45) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL19624271 0.84 PAOX (0.45) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL23559874 0.84 KDM4E (0.61) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL9968738 0.84 KDM4E (0.61) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL6722028 0.82 HRH4 (0.40) TSHRALDH1A1USP2HRH4HRH3
SCHEMBL6722031 0.82 CYP2D6 (0.44) MTNR1AMTNR1BTSHRALDH1A1USP2
SCHEMBL20810611 0.80 USP2 (0.46) MAPK1TSHRALDH1A1USP2HRH4

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
EP-2953976-B1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES NOVARTIS AG (CH) 2021-03-24 EP disclosed
WO-2021037205-A1 COMPOUND AND DRUG CONJUGATE, AND PREPARATION METHOD AND USE THEREOF 苏州瑞博生物技术股份有限公司 2021-03-04 WO disclosed
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed