SCHEMBL184883

SCHEMBL184883

CCCC(NC(C)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
TACR3 P29371 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CCR5 P51681 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RIPK1 Q13546 1/20 0.46
HTT P42858 1/20 0.46
USP9X Q93008 2/20 0.45
UCHL1 P09936 1/20 0.45
USP5 P45974 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL14277942 1.00 KMT2A (0.50) KMT2ATACR3MTNR1AMTNR1BCCR5
SCHEMBL29138702 0.90 ALDH1A1 (0.56) KMT2ATACR3MTNR1AMTNR1BCCR5
SCHEMBL574487 0.87 TACR3 (0.51) KMT2ATACR3LMNAPOLBKDM4E
SCHEMBL15093362 0.87 TACR3 (0.51) TACR3LMNAPOLBKDM4EALDH1A1
SCHEMBL14393511 0.86 PRKACA (0.54) KMT2ATACR3MTNR1AMTNR1BCCR5
SCHEMBL14393691 0.86 PRKACA (0.54) KMT2ATACR3MTNR1AMTNR1BCCR5
SCHEMBL186416 0.85 LMNA (0.61) KMT2ATACR3LMNASMN1; SMN2POLB
SCHEMBL186230 0.85 LMNA (0.61) KMT2ATACR3LMNASMN1; SMN2POLB
SCHEMBL186238 0.85 LMNA (0.61) KMT2ATACR3LMNASMN1; SMN2POLB
SCHEMBL1955325 0.84 LMNA (0.50) TACR3LMNAPOLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401260-A1 DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2012-01-04 EP disclosed
WO-2010097465-A1 DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 WO disclosed
CN-101547890-A Catalytic asymmetric synthesis of primary amines via borane reduction of oxime ethers using spiroborate esters INTELLECTUAL PROPERTY AND TECH (US) 2009-09-30 CN disclosed
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 WO disclosed