SCHEMBL29084563

SCHEMBL29084563

OB(O)Oc1ccc(O)cc1.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ESR1 P03372 2/20 0.50
LTA4H P09960 3/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
ALOX15 P16050 2/20 0.42
LMNA P02545 2/20 0.42
HIF1A Q16665 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL787418 0.97 ESR2 (0.52) ESR2MEN1KMT2AESR1LTA4H
Ammonia Solution, Strong SCHEMBL27451379 0.95 ESR2 (0.50) ESR2MEN1KMT2AESR1LTA4H
SCHEMBL8162328 0.90 ESR2 (0.54) ESR2MEN1KMT2AESR1LTA4H
SCHEMBL3800806 0.86 CA1 (0.38) ESR2MEN1KMT2AESR1CA12
SCHEMBL28667653 0.84 ESR2 (0.41) ESR2MEN1KMT2AESR1LTA4H
SCHEMBL27920336 0.80 CYP1A2 (0.46) ESR2MEN1KMT2AESR1ALOX15
SCHEMBL2851755 0.78 ESR2 (0.55) ESR2MEN1KMT2AESR1LTA4H
SCHEMBL1973121 0.78 ESR2 (0.39) ESR2ESR1NPC1CA1CA2
SCHEMBL27557826 0.77 ENPP2 (0.44) MEN1KMT2ALMNACA1CA2
SCHEMBL27678323 0.77 ORAI1 (0.44) LMNAALDH1A1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854081-A Preparation method of graphene heat conduction film 嘉庚创新实验室 2023-10-10 CN disclosed