SCHEMBL24385992

SCHEMBL24385992

C/C1=C/c2ccccc2CC(I)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PTGS2 P35354 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
ACHE P22303 1/20 0.32
GPR84 Q9NQS5 2/20 0.31
PRCP P42785 1/20 0.30
CDK8 P49336 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
SCHEMBL24806545 0.87 HTR2A (0.36) PTGS2DRD2DRD4HTR2AGRIN2D
SCHEMBL13781664 0.75 HTR2A (0.53) DRD2HTR2AGRIN2DGRIN3BGRIN1
SCHEMBL24385894 0.72 NOS3 (0.40) HTR2AACHECDK8CDK5
SCHEMBL22295673 0.72 HTR2A (0.39) KDM4EDRD2HTR2AGRIN2DGRIN3B
SCHEMBL14454336 0.70 PGR (0.40) KDM4EDRD2DRD4
SCHEMBL19576003 0.70 PTGDR2 (0.35) L3MBTL1HTR2A
SCHEMBL18829131 0.70 KDM4E (0.39) KDM4EL3MBTL1CYP19A1CYP11B1CYP11B2
SCHEMBL11683797 0.69 MAOA (0.50) L3MBTL1CYP19A1HTR2AACHE
SCHEMBL23571678 0.68 HTR2A (0.36) DRD2DRD4HTR2AACHECDK8
SCHEMBL7270394 0.65

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
EP-3991792-A1 TRANSPLANTATION DEVICE USING CHEMICALLY CROSSLINKED ALGINIC ACID Mochida Pharmaceutical Co., Ltd. (JP) 2022-05-04 EP disclosed