SCHEMBL25857460

SCHEMBL25857460

CC1(C)c2ccccc2Oc2c(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BACE1 P56817 3/20 0.32
KCNH2 Q12809 3/20 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
SCHEMBL25867127 0.92 DRD1 (0.33) DRD1ESR1ESR2KDM4EMEN1
SCHEMBL25850071 0.91 DRD1 (0.37) DRD1ESR1ESR2KDM4EMEN1
SCHEMBL25849163 0.91 DRD1 (0.37) DRD1ESR1ESR2KDM4EMEN1
SCHEMBL25858161 0.90 MEN1 (0.40) DRD1ESR1ESR2KDM4EMEN1
SCHEMBL25857537 0.90 MEN1 (0.38) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL25857543 0.89 ESR1 (0.35) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL25857624 0.88 MEN1 (0.37) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL25856506 0.87 DRD1 (0.43) DRD1ESR1ESR2KDM4EMEN1
SCHEMBL25857531 0.86 ESR1 (0.37) DRD1ESR1ESR2KDM4EMEN1
SCHEMBL25848907 0.84 DRD1 (0.38) DRD1ESR1ESR2KDM4EMEN1

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