SCHEMBL7592887

SCHEMBL7592887

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 6/20 0.35
HPGD P15428 5/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
DHFR P00374 1/20 0.34
ALOX15 P16050 4/20 0.33
ALOX12 P18054 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PTPN1 P18031 1/20 0.33
TDP2 O95551 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

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
SCHEMBL7208808 0.96 ALDH1A1 (0.33) ALDH1A1CYP2A6KDM4EHPGDCA12
SCHEMBL4469094 0.93 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL5083656 0.93 ALOX15 (0.35) ALDH1A1KDM4EHPGDDHFRALOX15
SCHEMBL8679529 0.86 ALDH1A1 (0.35) ALDH1A1CYP2A6KDM4EHPGDCA12
SCHEMBL4465450 0.85 KDM4E (0.34) ALDH1A1CYP2A6KDM4EHPGDCA12
SCHEMBL5609091 0.84 KDM4E (0.41) ALDH1A1CYP2A6KDM4EHPGDALOX12
SCHEMBL17952999 0.81 ALDH1A1 (0.37) ALDH1A1CYP2A6KDM4EHPGDCA12
SCHEMBL5860453 0.81 ALDH1A1 (0.37) ALDH1A1CYP2A6KDM4EHPGDCA12
SCHEMBL30229819 0.81 ALDH1A1 (0.37) ALDH1A1CYP2A6KDM4EHPGDCA12
SCHEMBL6902681 0.81 MAOA (0.33) ALDH1A1KDM4EHPGDALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040134-A1 MIXED CATALYST SYSTEM UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-10-04 EP claimed
WO-1999031147-A1 MIXED CATALYST SYSTEM UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-06-24 WO claimed
CN-112805418-B Bicomponent polymer fibers 埃克森美孚化学专利公司 2023-06-27 CN disclosed
CN-109548404-B Propylene-alpha olefin copolymer and process for producing the same 埃克森美孚化学专利公司 2022-02-08 CN 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
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