SCHEMBL17391664

SCHEMBL17391664

COc1c(C(C)(C)C)cc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)=C3C=CC(=N3)C=C3C=CC2=N3)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.38
▸ PTGS1 P23219 1/20 0.35
▸ DHFR P00374 1/20 0.31

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
SCHEMBL7259993 0.83 KDM4E (0.35) —
SCHEMBL6804334 0.81 CYP1A1 (0.33) —
SCHEMBL4266561 0.76 ME2 (0.34) —
SCHEMBL585529 0.74 CLK4 (0.39) —
SCHEMBL6803316 0.74 — —
SCHEMBL6505253 0.72 — —
SCHEMBL4266709 0.71 KIF11 (0.33) —
SCHEMBL7257337 0.71 TDP1 (0.40) PTGS2
SCHEMBL8189724 0.71 KDM4E (0.34) —
SCHEMBL2226184 0.70 CYP1A2 (0.32) —

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-9691555-B2 Photosensitive porphyrin dyes for dye-sensitized solar cells NATIONAL CHUNG HSING UNIVERSITY (TW) 2017-06-27 — — US disclosed
EP-2977412-A2 PHOTOSENSITIVE PORPHYRIN-BASED DYE AND DYE-SENSITIZED SOLAR CELL National Chung Hsing University (TW) 2016-01-27 — — EP disclosed
US-20160005546-A1 PHOTOSENSITIVE PORPHYRIN DYES FOR DYE-SENSITIZED SOLAR CELLS NATIONAL CHUNG HSING UNIVERSITY (TW) 2016-01-07 — — US disclosed
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