SCHEMBL16462011

SCHEMBL16462011

CCOC(=O)/C(=C\N(C)C)C(=O)c1cc(I)c(OC)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
PLIN1 O60240 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PAX8 Q06710 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL16462013 1.00 KMT2A (0.41) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL12931114 0.89 MAPT (0.39) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL16461661 0.88 CYP3A4 (0.40) MAPTHPGDPAX8CYP3A4CYP11B1
SCHEMBL16461662 0.88 CYP3A4 (0.40) MAPTHPGDPAX8CYP3A4CYP11B1
SCHEMBL1300340 0.85 LMNA (0.41) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL1300338 0.85 LMNA (0.41) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL18240280 0.84 CYP3A4 (0.41) KMT2AMAPTLMNAHPGDPAX8
SCHEMBL18240282 0.84 CYP3A4 (0.41) KMT2AMAPTLMNAHPGDPAX8
SCHEMBL931804 0.79 CYP11B1 (0.59) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL931806 0.79 CYP11B1 (0.59) KMT2AMAPTMEN1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906529-B9 A NEW PRODUCTION METHOD AND NEW INTERMEDIATES OF SYNTHESIS OF ELVITEGRAVIR ZENTIVA KS (CZ) 2017-03-15 EP disclosed
EP-2906529-B1 A NEW PRODUCTION METHOD AND NEW INTERMEDIATES OF SYNTHESIS OF ELVITEGRAVIR ZENTIVA KS (CZ) 2016-11-23 EP disclosed
EP-2906529-A1 A NEW PRODUCTION METHOD AND NEW INTERMEDIATES OF SYNTHESIS OF ELVITEGRAVIR Zentiva K.S. (CZ) 2015-08-19 EP disclosed
WO-2014056464-A1 A NEW PRODUCTION METHOD AND NEW INTERMEDIATES OF SYNTHESIS OF ELVITEGRAVIR ZENTIVA, K.S. (CZ) 2014-04-17 WO disclosed