SCHEMBL6909995

SCHEMBL6909995

CC1=C(C)C([Ti](Cl)(Cl)(=C(c2ccccc2)c2ccccc2)C2C(C)=C(C)c3cc(C)ccc32)c2ccc(C)cc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.31
MAPT P10636 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
CNR2 P34972 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
SCHEMBL6911188 0.85
SCHEMBL6904465 0.75 SMN1; SMN2 (0.35) SMN1; SMN2POLBMAPTCTDSP1NPC1
SCHEMBL6910173 0.74 MAOA (0.32)
SCHEMBL6909246 0.68 POLB (0.33) POLB
Hydrochloric Acid SCHEMBL6909993 0.68 SMN1; SMN2 (0.33) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL6909573 0.65 PDCD1 (0.32)
SCHEMBL6902654 0.65
SCHEMBL25812882 0.64 ELANE (0.39) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6909398 0.62 PGR (0.35) POLBMAPTCTDSP1
Hydrochloric Acid SCHEMBL27515760 0.60 MAOA (0.36) CYP1A2

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-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed