SCHEMBL8202886

SCHEMBL8202886

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
TDP2 O95551 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
NISCH Q9Y2I1 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
SCHEMBL8202144 0.81 CHRNB2 (0.34) HTR1AHTR7
SCHEMBL4094237 0.79 HTR7 (0.36) ALDH1A1MAPTKDM4EHPGDTDP2
SCHEMBL17952999 0.78 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EHPGDTDP2
SCHEMBL5860453 0.78 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EHPGDTDP2
SCHEMBL30229819 0.78 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EHPGDTDP2
SCHEMBL7252936 0.77 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EHPGDTDP2
SCHEMBL28012310 0.77 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EHPGDTDP2
SCHEMBL28529430 0.77 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EHPGDTDP2
SCHEMBL7996888 0.77 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EHPGDTDP2
SCHEMBL6329142 0.75 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EHPGDTDP2

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 3 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
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