SCHEMBL28895779

SCHEMBL28895779

CC1C([Zr](C)(C)C2=Cc3ccccc3C2C)=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.41
DRD4 P21917 5/20 0.41
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
BRD4 O60885 1/20 0.37
CCL2 P13500 1/20 0.37
NOTUM Q6P988 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
RET P07949 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
SCHEMBL30296975 0.75 HTR2A (0.37) DRD2CYP11B1CYP11B2RET
SCHEMBL30387247 0.75 DRD2 (0.31) DRD2DRD4
SCHEMBL6513384 0.74 DRD2 (0.33) DRD2DRD4BRD4CCL2
SCHEMBL29672901 0.72 DRD2 (0.46) DRD2DRD4CYP19A1CYP11B1CYP11B2
SCHEMBL29458545 0.71 DRD2 (0.41) DRD2DRD4CYP19A1CYP11B1CYP11B2
SCHEMBL251288 0.71 DRD2 (0.41) DRD2DRD4CYP19A1CYP11B1CYP11B2
SCHEMBL4384850 0.71 DRD2 (0.38) DRD2DRD4CYP19A1CYP11B1CYP11B2
SCHEMBL5084237 0.70 HTR1A (0.32) DRD2DRD4
SCHEMBL5087299 0.70 BRD4 (0.32) DRD2DRD4BRD4CCL2
SCHEMBL5475152 0.70 DRD2 (0.40) DRD2DRD4CYP19A1CYP11B1CYP11B2

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
CN-111108130-B Has the advantages ofcontaining-CH2-SiMe3Hybrid catalysts of partially unbridged hafnocenes 埃克森美孚化学专利公司 2022-06-28 CN disclosed
CN-111108130-A Has the advantages ofcontaining-CH2-SiMe3Hybrid catalysts of partially unbridged hafnocenes 埃克森美孚化学专利公司 2020-05-05 CN disclosed