SCHEMBL6652707

SCHEMBL6652707

Cc1ccc2ccccc2c1-c1cccc2c1C=CC2[Zr](C1C=Cc2c(-c3c(C)ccc4ccccc34)cccc21)[SiH](C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP2 O95551 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2A6 P11509 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL7149985 0.85 MAPT (0.37) ALDH1A1KDM4ETDP2MAPTHPGD
SCHEMBL7203992 0.75 CHRNB2 (0.31)
Hydrochloric Acid SCHEMBL15012385 0.73 HSD11B1 (0.32) HSD11B1ALDH1A1CYP2A6CYP1A2TSHR
SCHEMBL7811624 0.70 ALDH1A1 (0.33) ALDH1A1KDM4ETDP2MAPTHPGD
SCHEMBL7915042 0.69 DHFR (0.54) HSD11B1ALDH1A1KDM4EMAPTHPGD
SCHEMBL144200 0.68 HSD11B1 (0.32) HSD11B1CYP2A6CYP1A2TSHR
SCHEMBL7807225 0.67 KDM4E (0.33) ALDH1A1KDM4ETDP2MAPTHPGD
SCHEMBL8898486 0.67 HTR7 (0.33) ALDH1A1KDM4ETDP2MAPTHPGD
SCHEMBL27350922 0.66 CYP2A6 (0.40) HSD11B1ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL8509086 0.66 TSHR (0.54) HSD11B1ALDH1A1MAPTHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257587-B1 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS DOW GLOBAL TECHNOLOGIES INC (US) 2004-06-23 EP claimed
EP-0775148-B2 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 2003-01-02 EP claimed
EP-1257587-A2 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 2002-11-20 EP claimed
WO-2001004164-A2 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 2001-01-18 WO 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-1257587-B1 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS DOW GLOBAL TECHNOLOGIES INC (US) 2004-06-23 EP disclosed
EP-1257587-A2 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 2002-11-20 EP disclosed
US-6476283-B1 Hydrogenation of unsaturated polymers using divalent diene-containing bis-cyclopentadienyl group IV metal catalysts THE DOW CHEMICAL COMPANY 2002-11-05 US disclosed
WO-2001004164-A2 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 2001-01-18 WO disclosed
EP-0873344-A1 PREPARATION OF BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1998-10-28 EP disclosed
US-5679816-A REACTING A GROUP 4 METAL SALT, A CONJUGATED DIENE, A REDUCING AGENT AND A CYCLOPENTADIENE COMPOUND THE DOW CHEMICAL COMPANY (US) 1997-10-21 US disclosed
WO-1997025336-A1 PREPARATION OF BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-07-17 WO disclosed
EP-0775148-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-05-28 EP disclosed
WO-1996004290-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-02-15 WO disclosed