SCHEMBL17206359

SCHEMBL17206359

C=CCC(C(=O)OCC)(C(=O)OCC)C(CC=C)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
PKM P14618 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
PIN1 Q13526 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
SCHEMBL5819364 0.83 ALDH1A1 (0.39) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL1361264 0.83 CYP4F2 (0.44) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL283884 0.83 MEN1 (0.46) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL22323568 0.81 ALDH1A1 (0.37) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL4548473 0.81 CYP4F2 (0.47) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL3977030 0.81 PKM (0.44) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL12751316 0.81 PKM (0.41) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL2980733 0.79 PKM (0.36) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL10023943 0.79 CYP4F2 (0.50) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL8378912 0.79 ALOX15 (0.38) ALDH1A1PKMKDM4EMEN1KMT2A

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-3573993-B1 MOLYBDENUM AND TUNGSTEN ALKYLIDYNE-N-HETEROCYCLIC CARBENE COMPLEXES UNIV STUTTGART (DE) 2020-12-09 EP disclosed
EP-3134422-B1 N-HETEROCYCLIC CARBENE COMPLEXES OF METAL IMIDO ALKYLIDENES AND METAL OXO ALKYLIDENES, AND THE USE OF SAME UNIV STUTTGART (DE) 2019-06-12 EP disclosed
WO-2018138204-A1 MOLYBDENUM AND TUNGSTEN ALKYLIDYNE-N-HETEROCYCLIC CARBENE COMPLEXES Universität Stuttgart (DE) 2018-08-02 WO disclosed
EP-3134422-A2 N-HETEROCYCLIC CARBENE COMPLEXES OF METAL IMIDO ALKYLIDENES AND METAL OXO ALKYLIDENES, AND THE USE OF SAME Universität Stuttgart (DE) 2017-03-01 EP disclosed
WO-2015162245-A2 N-HETEROCYCLIC CARBENE COMPLEXES OF METAL IMIDO ALKYLIDENES AND METAL OXO ALKYLIDENES, AND THE USE OF SAME Universität Stuttgart (DE) 2015-10-29 WO disclosed