SCHEMBL5810777

SCHEMBL5810777

CCCCCn1c2c(c3ccccc31)CC(C(=O)OCC)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ PABPC1 P11940 2/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CNR2 P34972 2/20 0.45
▸ PSEN1 P49768 1/20 0.45
▸ PSEN2 P49810 1/20 0.45
▸ APH1B Q8WW43 1/20 0.45
▸ NCSTN Q92542 1/20 0.45

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
SCHEMBL8388005 0.84 PTGDR2 (0.51) PTGDR2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL13011086 0.80 PTGDR2 (0.45) PTGDR2KDM4EALDH1A1APOBEC3AAPOBEC3G
SCHEMBL2530097 0.78 KDM4E (0.52) PTGDR2KDM4EALDH1A1RAB9AHTT
SCHEMBL11836306 0.78 AKR1C3 (0.48) PTGDR2KDM4EALDH1A1HTTMEN1
SCHEMBL2313013 0.78 KDM4E (0.59) PTGDR2KDM4EALDH1A1RAB9AHTT
SCHEMBL28607228 0.77 ALDH1A1 (0.46) PTGDR2KDM4EALDH1A1HTTMEN1
SCHEMBL4726921 0.77 SCARB1 (0.46) ALDH1A1NPC1RAB9A
SCHEMBL7590610 0.77 KDM4E (0.53) PTGDR2KDM4EALDH1A1RAB9AL3MBTL1
SCHEMBL7586679 0.77 KDM4E (0.53) PTGDR2KDM4EALDH1A1RAB9AL3MBTL1
SCHEMBL11828886 0.76 LMNA (0.49) PTGDR2ALDH1A1HTTMEN1KMT2A

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
WO-2006012310-A2 CARBAZOLE DERIVATIVES FOR TREATING POLYCYSTIC KIDNEY DISEASE GENZYME CORPORATION (US) 2006-02-02 — — WO disclosed
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