SCHEMBL6898618

SCHEMBL6898618

CC1=CC([Zr](=C(c2ccccc2)c2ccccc2)C2c3cc(C)ccc3-c3ccc(C)cc32)c2ccc(C)cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.31
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
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR2 P34972 1/20 0.31
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
SCHEMBL6899756 0.92 NPC1 (0.34) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL5080321 0.92 NPC1 (0.34) NPC1RAB9AMEN1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL19056236 0.91 NPC1 (0.33) NPC1RAB9AMEN1CYP1A2CYP3A4
SCHEMBL5078525 0.90 CNR1 (0.34) NPC1RAB9ACNR2
SCHEMBL6903999 0.90 RAB9A (0.31) NPC1RAB9A
SCHEMBL6904699 0.87 NPC1 (0.34) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL5078577 0.87 NPC1 (0.31) NPC1RAB9A
SCHEMBL6904230 0.85 NPC1 (0.32) NPC1RAB9A
SCHEMBL6899927 0.83 NPC1 (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL6899736 0.83 LMNA (0.31) NPC1RAB9ACNR2

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-1473323-A1 Polyethylene composition and process for producing same Tosoh Corporation (JP) 2004-11-03 EP disclosed