SCHEMBL5080321

SCHEMBL5080321

CC1=CC([Zr](=C(c2ccccc2)c2ccccc2)C2c3ccccc3-c3ccccc32)c2ccc(C)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PPIA P62937 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CRHBP P24387 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDK2 Q15119 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
ELANE P08246 1/20 0.30
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL19056236 0.99 NPC1 (0.33) NPC1RAB9APPIALMNAMEN1
SCHEMBL6898618 0.92 NPC1 (0.34) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL6899756 0.90 NPC1 (0.34) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL6904699 0.90 NPC1 (0.34) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL6903999 0.85 RAB9A (0.31) NPC1RAB9A
SCHEMBL5078525 0.85 CNR1 (0.34) NPC1RAB9ALMNA
SCHEMBL5078577 0.82 NPC1 (0.31) NPC1RAB9A
SCHEMBL6906080 0.82
SCHEMBL6904230 0.81 NPC1 (0.32) NPC1RAB9APDK2
SCHEMBL6903510 0.81 MYC (0.34) NPC1RAB9A

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
EP-1964860-A1 ETHYLENE POLYMER, CATALYST FOR PRODUCTION OF ETHYLENE POLYMER, AND PROCESS FOR PRODUCTION OF ETHYLENE POLYMER Tosoh Corporation (JP) 2008-09-03 EP disclosed
EP-1473323-A1 Polyethylene composition and process for producing same Tosoh Corporation (JP) 2004-11-03 EP disclosed