SCHEMBL6295434

SCHEMBL6295434

CCCCCCCC(c1cc(C)cc(-n2nnc3cc(C)ccc32)c1O)c1cc(C)cc(-n2nnc3cc(C)ccc32)c1O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.38
▸ KCNMA1 Q12791 3/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ HCAR3 P49019 3/20 0.35
▸ TLR8 Q9NR97 2/20 0.35
▸ PPARG P37231 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ SLC9A1 P19634 2/20 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
SCHEMBL3185152 0.75 KCNMA1 (0.51) KCNMA1SLC9A1
SCHEMBL3171089 0.74 AMY1A (0.45) RXRAKCNMA1PPARG
SCHEMBL31614335 0.74 NPC1 (0.52) PDE5A
SCHEMBL672068 0.74 NPC1 (0.52) PDE5A
SCHEMBL5814955 0.70 SLC9A1 (0.45) KCNMA1SLC9A1
SCHEMBL672786 0.70 NPC1 (0.44) PDE5A
SCHEMBL11234390 0.69 ESR1 (0.39) PDE5A
SCHEMBL14493473 0.69 ESR1 (0.39) PDE5A
SCHEMBL10479352 0.69 CHRM2 (0.47) PDE5A
SCHEMBL11451555 0.69 ESR1 (0.39) PDE5A

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-6921740-B1 Electron-receiving compound and thermal recording material MITSUBISHI PAPER MIILS LTD. (JP) 2005-07-26 — — US disclosed
US-6890881-B2 Thermal recording materials MITSUBISHI PAPER MILLS LTD. (JP) 2005-05-10 — — US disclosed
US-20040029056-A1 Thermal recording materials MITSUBISHI PAPER MILLS LTD. (JP) 2004-02-12 — — US disclosed
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