SCHEMBL6658743

SCHEMBL6658743

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr]1(C2C(C)=Cc3c(-c4cccc5ccccc45)cccc32)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.33
HTR1A P08908 2/20 0.33
KDM1A O60341 1/20 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
ALDH1A1 P00352 3/20 0.33
CYP2A6 P11509 1/20 0.33
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A4 P31645 3/20 0.32
DHFR P00374 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP2D6 P10635 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL7046348 0.85 KDM4E (0.39) HTR7HTR1AKDM1AALDH1A1CYP2A6
SCHEMBL3123008 0.85 ALDH1A1 (0.33) ALDH1A1HPGDMAPK1L3MBTL1HSD17B10
Hydrochloric Acid SCHEMBL7076221 0.84 KDM4E (0.38) KDM1AALDH1A1CYP2A6MAPTRAB9A
SCHEMBL7046629 0.82 CHRNB2 (0.35) HTR7HTR1AMAOAMAOB
Hydrochloric Acid SCHEMBL6063831 0.81 CHRNB2 (0.34) HTR7HTR1AMAOAMAOB
SCHEMBL4019314 0.80 ALDH1A1 (0.30) ALDH1A1MAOAMAOBHPGDMAPK1
SCHEMBL7046927 0.80 KDM4E (0.37) KDM1AALDH1A1CYP2A6MAPTRAB9A
SCHEMBL7996888 0.80 ALDH1A1 (0.36) HTR7HTR1AKDM1ACA12CA1
Hydrochloric Acid SCHEMBL7197428 0.79 MAPT (0.35) ALDH1A1CYP2A6MAPTKDM4EALOX12
SCHEMBL6434163 0.79 BRD4 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US 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
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
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US disclosed
US-6084115-A METAL DIENE-CONTAINING COMPLEXES BY REACTION WITH THE DIVALENT DERIVATIVE OF A BRIDGED BIDENTATE LIGAND; METALLOCENES; RACEMIC ISOMER USED TO PREPARE ISOTACTIC POLYOLEFINS, E.G., CRYSTALLINE POLYPROPYLENE. THE DOW CHEMICAL COMPANY (US) 2000-07-04 US 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