SCHEMBL27629902

SCHEMBL27629902

CCc1[c]c2ccccc(-c3ccccc3)c-2c1.Cl[Zr]Cl

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HTR7 P34969 1/20 0.31
PTGS2 P35354 1/20 0.31
RAB9A P51151 1/20 0.30
RCE1 Q9Y256 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
DPP4 P27487 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL6870040 0.94 CA1 (0.35) CYP2A6CA12CA1CA2CA7
SCHEMBL721411 0.76 TP53 (0.36) PTGS2RAB9A
SCHEMBL6878140 0.72 HTR7 (0.35) CA12CA1CA2CA9HTR7
SCHEMBL714544 0.71 ALDH1A1 (0.40) CYP2A6CA12CA1CA2CA7
SCHEMBL6286439 0.69 TP53 (0.36) PTGS2
SCHEMBL4457527 0.68 KDM4E (0.33) CA12CA1CA2CA7CA9
SCHEMBL510173 0.68 ALDH1A1 (0.41) CA1CA2CA9RAB9A
SCHEMBL509959 0.65 CYP1A2 (0.35) CA1CA2CA9
SCHEMBL11176371 0.65 GABRA1 (0.38) RAB9APDCD1CD274DPP4
SCHEMBL455996 0.65 CYP2A6 (0.38) CYP2A6HTR7PDCD1CD274DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026293-A fiber-reinforced polypropylene resin composition 马自达汽车株式会社 2018-05-11 CN disclosed
CN-1689801-A Biaxially oriented multi-layer film using propylene-ethylene random block copolymer as a surface layer JAPAN POLYPROPYLENE CORP (JP) 2005-11-02 CN disclosed