SCHEMBL5553340

SCHEMBL5553340

CC1=C(C)C(C)C([Ti](Oc2cccc(C(C)(C)C)c2)=C(c2ccccc2)c2ccccc2)=C1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
ACHE P22303 3/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM2 Q14416 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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 SCHEMBL716651 0.99 NR4A1 (0.33) NR4A1NR4A2NR4A3ACHEMAPT
Hydrochloric Acid SCHEMBL715438 0.88 RXRA (0.32) MAPTTDP1L3MBTL1RXRARXRB
SCHEMBL7931683 0.88 NPC1 (0.32) MAPTTDP1L3MBTL1NPC1HTT
SCHEMBL4421381 0.87
Hydrochloric Acid SCHEMBL714360 0.87 NPC1 (0.32) NPC1HTTRAB9A
Hydrochloric Acid SCHEMBL712555 0.86
Hydrochloric Acid SCHEMBL716951 0.85 CYP3A4 (0.32) L3MBTL1HTTCYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL714535 0.84 ALOX5 (0.34) MAPTTDP1RXRARXRBFFAR1
Hydrochloric Acid SCHEMBL3681674 0.82 SOD1 (0.32) L3MBTL1HTTCYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL714698 0.81 MDM2 (0.30) MAPT

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-1785429-B1 PROCESS FOR PRODUCING METALLOCENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-10-03 EP disclosed
EP-1785429-A1 PROCESS FOR PRODUCING METALLOCENE COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-05-16 EP disclosed