SCHEMBL8084250

SCHEMBL8084250

CSc1ccc(O[Zr](Oc2ccc(SC)cc2)(C2=CC=CC2)C2=CC=CC2)cc1.CSc1cccc(O[Zr](Oc2cccc(SC)c2)(C2=CC=CC2)C2=CC=CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL5497535 0.94 SMN1; SMN2 (0.33) CYP1A1CYP1A2CYP1B1LMNASMN1; SMN2
SCHEMBL5498696 0.89 CYP1A1 (0.36) CYP1A1CYP1A2CYP1B1LMNAALDH1A1
SCHEMBL5499510 0.82
SCHEMBL5492108 0.82
SCHEMBL5609510 0.81
SCHEMBL5498636 0.80
SCHEMBL5084251 0.78 RXFP1 (0.32) LMNAMAPT
SCHEMBL5491964 0.77 LTA4H (0.34)
SCHEMBL5499565 0.77 ACHE (0.39) CYP1A1CYP1A2CYP1B1LMNASMN1; SMN2
SCHEMBL5083472 0.77 ACHE (0.43) LMNAALDH1A1

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-1035138-A1 SOLID CATALYSTS FOR THE POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PRODUCTION OF OLEFIN POLYMERS THEREWITH MARUZEN PETROCHEMICAL CO., LTD. (JP) 2000-09-13 EP disclosed