SCHEMBL7208808

SCHEMBL7208808

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr]C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21.C[SiH2]C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 4/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CYP2A6 P11509 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DHFR P00374 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALOX15 P16050 4/20 0.31
ALOX12 P18054 2/20 0.31
TDP2 O95551 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL7592887 0.96 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL5083656 0.89 ALOX15 (0.35) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL4469094 0.89 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL8679529 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL5678404 0.81 PDCD1 (0.33)
SCHEMBL4465450 0.81 KDM4E (0.34) ALDH1A1KDM4EHPGDCA12CA1
Hydrochloric Acid SCHEMBL27473045 0.81 CA12 (0.33) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL5609091 0.81 KDM4E (0.41) ALDH1A1KDM4EHPGDCYP2A6MAPT
SCHEMBL17952999 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL5860453 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDCA12CA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775148-B2 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 2003-01-02 EP claimed
EP-0775148-B1 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 1999-08-25 EP claimed
EP-0775148-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-05-28 EP claimed
WO-1996004290-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-02-15 WO claimed
EP-0775148-B2 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 2003-01-02 EP disclosed
EP-0775148-B1 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 1999-08-25 EP disclosed
EP-0915098-A2 Biscyclopentadienyl diene complexes, their preparation and catalyst compositions containing them THE DOW CHEMICAL COMPANY (US) 1999-05-12 EP disclosed