SCHEMBL25857619

SCHEMBL25857619

CC1(c2ccccc2)c2ccccc2Oc2cc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 3/20 0.34
KCNH2 Q12809 3/20 0.34
PDK2 Q15119 2/20 0.32
PGR P06401 1/20 0.30

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
SCHEMBL25857620 0.93 ESR1 (0.35) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL25858297 0.93 MEN1 (0.39) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL25853201 0.93 MEN1 (0.39) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL25864658 0.92 KDM4E (0.32) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL25852120 0.91 MEN1 (0.35) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL25867880 0.91 ESR1 (0.36) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL25857539 0.91 MEN1 (0.38) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL25857621 0.90 MEN1 (0.37) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL25864557 0.89 MEN1 (0.33) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL25851740 0.89 MEN1 (0.33) ESR1ESR2KDM4EMEN1LMNA

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
WO-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed