SCHEMBL5053754

SCHEMBL5053754

c1ccc2c(c1)Cc1c-2cccc1-c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.44
▸ TSHR P16473 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ ACHE P22303 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 4/20 0.39
▸ THRB P10828 1/20 0.39
▸ HTR7 P34969 3/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39

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
SCHEMBL827870 0.91 PNMT (0.40) PNMTTSHRCYP3A4ACHECYP1A2
SCHEMBL28360159 0.91 PNMT (0.40) PNMTTSHRCYP3A4ACHECYP1A2
SCHEMBL29810044 0.84 ACHE (0.47) PNMTTSHRCYP3A4ACHECYP1A2
SCHEMBL28244504 0.84 PNMT (0.37) PNMTTSHRCYP3A4ACHECYP1A2
Pyrene SCHEMBL28755896 0.84 ACHE (0.42) PNMTTSHRCYP3A4ACHECYP1A2
SCHEMBL29016819 0.84 ALDH1A1 (0.46) PNMTTSHRCYP3A4ACHECYP1A2
SCHEMBL6883314 0.82 SRC (0.36) PNMTTSHRCYP3A4ACHECYP1A2
SCHEMBL4853725 0.82 ACHE (0.47) PNMTTSHRCYP3A4ACHECYP1A2
SCHEMBL23633881 0.81 MAP3K9 (0.41) PNMTACHEHTR7HTR2BNPC1
SCHEMBL6675750 0.80 PNMT (0.50) PNMTTSHRCYP3A4ACHEMAOA

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
US-20080093986-A1 Ink For Forming Organic El Coating Film And Method For Production Thereof IDEMITSU KOSAN CO., LTD. (JP) 2008-04-24 — — US disclosed
EP-1850405-A1 INK FOR FORMING ORGANIC EL COATING FILM AND METHOD FOR PRODUCTION THEREOF IDEMITSU KOSAN CO., LTD. (JP) 2007-10-31 — — EP disclosed
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