SCHEMBL8087970

SCHEMBL8087970

CCCCC1=CC(c2ccccc2)=C(CCCC)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
NR5A1 Q13285 8/20 0.34
NR5A2 O00482 7/20 0.34
SOAT1 P35610 2/20 0.33
TSHR P16473 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PSMB5 P28074 1/20 0.32
PTGS2 P35354 1/20 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
SCHEMBL8614512 0.82 TSHR (0.36) HSD11B1SOAT1TSHRGPR84BCHE
Hydrochloric Acid SCHEMBL8359875 0.76 HSD11B1 (0.32) HSD11B1
Hydrochloric Acid SCHEMBL8361429 0.76 HSD11B1 (0.32) HSD11B1
SCHEMBL8087987 0.74 SIGMAR1 (0.39) HSD11B1
SCHEMBL8087972 0.74 TLR7 (0.36)
SCHEMBL1027606 0.71 SCD (0.32)
SCHEMBL28643176 0.71 SCD (0.32)
SCHEMBL29287787 0.68 SOAT1 (0.35) HSD11B1SOAT1PSMB5
SCHEMBL8079685 0.68 SIGMAR1 (0.36) HSD11B1
SCHEMBL18281504 0.67 SOAT1 (0.35) HSD11B1SOAT1PSMB5

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
US-6046346-A Production of alkali metal cyclopentadienylide and production of dihalobis (η-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-04 US disclosed
EP-0926150-A2 Production of alkali metal cyclopentadienylide and production of dihalobis(eta-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide Honshu Chemical Industry Co. Ltd. (JP) 1999-06-30 EP disclosed