SCHEMBL3804484

SCHEMBL3804484

CCCCCc1nccc(CC)c1CCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GCGR P47871 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ HPGD P15428 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 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
SCHEMBL250968 0.89 TDP1 (0.41) TDP1L3MBTL1GCGRKDM4ENOS2
SCHEMBL28934057 0.88 TYR (0.41) TDP1L3MBTL1KDM4ENOS2HPGD
SCHEMBL7264503 0.87 NOS2 (0.38) TDP1L3MBTL1NOS2HPGDHTR2A
SCHEMBL7008513 0.78 NOS2 (0.52) TDP1L3MBTL1KDM4ENOS2HPGD
SCHEMBL16414445 0.76 NOS2 (0.39) NOS2HTR2AHTR2CHTR2BNOS3
SCHEMBL28009761 0.76 NOS2 (0.42) TDP1L3MBTL1GCGRKDM4ENOS2
SCHEMBL24228676 0.76 TYR (0.44) TDP1L3MBTL1GCGRKDM4EHTR2A
SCHEMBL10380851 0.76 TDP1 (0.36) TDP1L3MBTL1KDM4ENOS2HPGD
SCHEMBL11036114 0.76 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10380458 0.76 TDP1 (0.36) TDP1L3MBTL1KDM4ENOS2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010090345-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING, RELIEF PRINTING PLATE AND METHOD FOR PRODUCING RELIEF PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-08-12 — — WO disclosed
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