SCHEMBL7931683

SCHEMBL7931683

COc1cc(O[Ti](C2=C(C)C(C)=C(C)C2C)=C(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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 SCHEMBL714360 0.99 NPC1 (0.32) NPC1HTTRAB9ASMN1; SMN2PDE4A
Hydrochloric Acid SCHEMBL715438 0.89 RXRA (0.32) MAPTTDP1L3MBTL1
SCHEMBL4421381 0.88
SCHEMBL5553340 0.88 NR4A1 (0.33) NPC1HTTRAB9AMAPTTDP1
Hydrochloric Acid SCHEMBL712555 0.87
Hydrochloric Acid SCHEMBL716651 0.87 NR4A1 (0.33) NPC1HTTRAB9AMAPTTDP1
Hydrochloric Acid SCHEMBL718964 0.82
Hydrochloric Acid SCHEMBL714698 0.80 MDM2 (0.30) MAPT
Hydrochloric Acid SCHEMBL3686800 0.80
SCHEMBL4083286 0.76

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
US-6187889-B1 COPOLYMER OF AN ALPHA-OLEFIN WITH AN ALKENYL AROMATIC HYDROCARBON, HAVING A STRUCTURE AT WHICH TERTIARY CARBON ATOMS ARE MUTUALLY SEPARATED BY TWO METHYLENE GROUPS IN THE BACKBONE OF THE COPOLYMER; STRETCHING, WRAPPING FILMS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-13 US disclosed