SCHEMBL14400321

SCHEMBL14400321

O=C1OC2(CCCCC2)OC(=O)C1=CC1C(=O)OC2(CCC3(CC2)OC(=O)C(C=C2C(=O)OC4(CCCCC4)OC2=O)C(O)O3)OC1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.35
▸ NPSR1 Q6W5P4 6/20 0.35
▸ HPGD P15428 4/20 0.35
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ CRHBP P24387 2/20 0.33
▸ CRHR2 Q13324 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL14562213 0.80 ALDH1A1 (0.33) ALDH1A1NPSR1HPGDMEN1KMT2A
SCHEMBL14572623 0.79 — —
SCHEMBL13486727 0.72 ALDH1A1 (0.34) ALDH1A1NPSR1HPGDMEN1KMT2A
SCHEMBL13741193 0.70 — —
SCHEMBL14374890 0.69 — —
SCHEMBL13160474 0.68 ALDH1A1 (0.38) ALDH1A1NPSR1HPGDMEN1KMT2A
SCHEMBL14163163 0.66 — —
SCHEMBL3336901 0.64 TSHR (0.35) —
SCHEMBL13416911 0.63 ALDH1A1 (0.47) ALDH1A1NPSR1HPGDMEN1KMT2A
SCHEMBL31634551 0.62 ALDH1A1 (0.32) ALDH1A1HPGD

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-20070231742-A1 Optical Information-Recording Medium FUJIFILM CORPORATION (JP) 2007-10-04 — — US disclosed
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