SCHEMBL16487758

SCHEMBL16487758

COc1c(C)cc(C)cc1P(c1cc(C)cc(C)c1C)c1cc(C)cc(C)c1OC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.31
▸ PTPN1 P18031 1/20 0.30
▸ NR3C1 P04150 1/20 0.30
▸ NR3C2 P08235 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
SCHEMBL16488059 0.92 ACHE (0.44) ACHERAPGEF4PTPN1NR3C1NR3C2
SCHEMBL11460644 0.83 RAPGEF4 (0.38) ACHERAPGEF4
SCHEMBL25240456 0.76 ACHE (0.41) ACHERAPGEF4PTPN1NR3C1NR3C2
SCHEMBL129762 0.73 ACHE (0.57) ACHERAPGEF4PTPN1NR3C1NR3C2
SCHEMBL258715 0.67 MAPT (0.35) ACHERAPGEF4
SCHEMBL258728 0.67 MAPT (0.35) ACHERAPGEF4
SCHEMBL17657338 0.67 ALDH1A1 (0.39) ACHE
SCHEMBL1224812 0.67 ACHE (0.36) ACHE
SCHEMBL10196604 0.66 ACHE (0.76) ACHEPTPN1
SCHEMBL13083360 0.66 ACHE (0.48) ACHERAPGEF4PTPN1NR3C1NR3C2

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
US-8957181-B2 Preparation process for cyclic conjugated polymer and polymerization catalyst for cyclic conjugated polymer SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2015-02-17 — — US disclosed
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