SCHEMBL2317651

SCHEMBL2317651

CCCCCCC1=C(CCCCCC)C2=C(CCCCCC)C3=NC(=CC4=NC(=CC5=NC(=C(c6ccc(C(=O)OC)cc6)C1=N2)C=C5)C=C4)C=C3

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.34
▸ MGLL Q99685 1/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SETD7 Q8WTS6 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
SCHEMBL2342869 0.77 MAPT (0.43) MAPTSMN1; SMN2TLR8MGLLCYP4F2
SCHEMBL2318543 0.77 MAPT (0.43) MAPTSMN1; SMN2TLR8MGLLCYP4F2
SCHEMBL2319620 0.77 MAPT (0.43) MAPTSMN1; SMN2TLR8MGLLCYP4F2
SCHEMBL2317204 0.75 RARB (0.38) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7261873 0.73 MAPT (0.38) MAPTSMN1; SMN2TLR8NPC1RAB9A
SCHEMBL2364031 0.73 RARB (0.40) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6003914 0.72 ALOX5 (0.31) MAPT
SCHEMBL7262706 0.70 TLR8 (0.32) MAPTSMN1; SMN2TLR8RAB9A
SCHEMBL585686 0.68 PTGS2 (0.35) —
SCHEMBL23909136 0.67 SETD7 (0.46) MAPTSMN1; SMN2NPC1RAB9ASETD7

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
EP-2350058-A2 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT CeramOptec GmbH (DE) 2011-08-03 — — EP disclosed
WO-2010033678-A2 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT CERAMOPTEC INDUSTRIES, INC. (US) 2010-03-25 — — WO disclosed
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