SCHEMBL7928185

SCHEMBL7928185

CCCCC1=Cc2ccccc2C1[Zr]1(C2C(CCCC)=Cc3ccccc32)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL814942 0.76 CYP3A4 (0.33) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL29960196 0.76 CYP3A4 (0.33) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
Fluoride Ion SCHEMBL27948619 0.76 CYP3A4 (0.33) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
Iodide SCHEMBL27948782 0.76 CYP3A4 (0.33) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL27932999 0.76 CYP3A4 (0.33) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL27933160 0.76 CYP3A4 (0.33) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL29213166 0.76 BCHE (0.35) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9
SCHEMBL815618 0.76 BCHE (0.35) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9
SCHEMBL11590486 0.74 BCHE (0.34) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
Fluoride Ion SCHEMBL1131501 0.74 BCHE (0.34) CYP3A4CYP2D6CYP2C9TSHRCYP2C19

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-1153938-A1 CATALYST FOR STEREOREGULAR POLYMERIZATION OF ALPHA-OLEFIN AND PROCESS FOR PRODUCING STEREOREGULAR ALPHA-OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-14 EP disclosed