SCHEMBL6904465

SCHEMBL6904465

CC1=Cc2cc(C)ccc2C1[Ti](Cl)(Cl)(=C(c1ccccc1)c1ccccc1)C1C(C)=Cc2cc(C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 2/20 0.31
MAPT P10636 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TRPM5 Q9NZQ8 1/20 0.31
LMNA P02545 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL6905956 0.86 MAPT (0.35) NPC1RAB9APOLBMAPTCTDSP1
SCHEMBL6910484 0.81
SCHEMBL6902654 0.76
SCHEMBL6909995 0.75 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL6911165 0.74
SCHEMBL6909573 0.73 PDCD1 (0.32)
SCHEMBL6907018 0.72 HDAC1 (0.32) SMN1; SMN2POLBMAPTCTDSP1
SCHEMBL820363 0.68 ALDH1A1 (0.31) SMN1; SMN2
Hydrochloric Acid SCHEMBL6904461 0.68 SMN1; SMN2 (0.33) SMN1; SMN2NPC1RAB9APOLBTRPM5
SCHEMBL6904598 0.67 NPC1 (0.34) SMN1; SMN2NPC1RAB9ALMNA

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