SCHEMBL30692102

SCHEMBL30692102

CCC(C)c1cc(C)cc(C)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
TSHR P16473 3/20 0.35
ALDH1A1 P00352 5/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RORC P51449 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
NOS2 P35228 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL11415140 0.90 TSHR (0.39) KDM4ETSHRALDH1A1GAAUSP2
SCHEMBL4549115 0.84 TSHR (0.35) TSHRALDH1A1GAAUSP2PKM
SCHEMBL27808479 0.79 KDM4E (0.42) KDM4ETSHRALDH1A1TP53CYP3A4
SCHEMBL28928607 0.79 KDM4E (0.42) KDM4ETSHRALDH1A1TP53CYP3A4
SCHEMBL342438 0.78 TSHR (0.34) TSHRALDH1A1TP53CYP3A4TDP1
SCHEMBL23809868 0.77 KDM4E (0.41) KDM4ETSHRALDH1A1TP53CYP3A4
SCHEMBL560581 0.77 TSHR (0.39) TSHRALDH1A1GAAUSP2PKM
SCHEMBL8760785 0.76 TSHR (0.44) KDM4ETSHRALDH1A1GAAUSP2
SCHEMBL12808355 0.74 ALDH1A1 (0.34) TSHRALDH1A1TP53CYP3A4TDP1
SCHEMBL6568059 0.74 KDM4E (0.42) KDM4ETSHRALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543894-A1 NOVEL RUTHENIUM COMPLEXES, METHOD OF THEIR SYNTHESIS, INTERMEDIATE COMPOUNDS USED IN THIS METHOD, METHOD OF THEIR SYNTHESIS AND THE USE OF NOVEL RUTHENIUM COMPLEXES IN OLEFIN METATHESIS REACTIONS Uniwersytet Warszawski (PL) 2025-04-30 EP disclosed
WO-2023248205-A1 NOVEL RUTHENIUM COMPLEXES, METHOD OF THEIR SYNTHESIS, INTERMEDIATE COMPOUNDS USED IN THIS METHOD, METHOD OF THEIR SYNTHESIS AND THE USE OF NOVEL RUTHENIUM COMPLEXES IN OLEFIN METATHESIS REACTIONS UNIWERSYTET WARSZAWSKI (PL) 2023-12-28 WO disclosed