SCHEMBL13812761

SCHEMBL13812761

O=C(Nc1cccc(OCCc2ccccc2)c1)c1ccccc1O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 4/20 0.60
▸ NR1H4 Q96RI1 2/20 0.59
▸ LMNA P02545 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ALOX15 P16050 4/20 0.54
▸ PNLIP P16233 2/20 0.53
▸ P2RX1 P51575 2/20 0.53
▸ FADS1 O60427 1/20 0.53
▸ TERT O14746 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51

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
SCHEMBL13812748 0.89 NR1H4 (0.55) SIRT2NR1H4LMNAMEN1KMT2A
SCHEMBL13812756 0.89 NR1H4 (0.55) SIRT2NR1H4LMNAMEN1KMT2A
SCHEMBL13812778 0.88 NR1H4 (0.54) SIRT2NR1H4LMNAMEN1KMT2A
SCHEMBL3863657 0.88 P2RX1 (0.62) SIRT2NR1H4MEN1KMT2AP2RX1
SCHEMBL13812759 0.88 LRRK2 (0.58) SIRT2NR1H4ALOX15P2RX1FADS1
SCHEMBL13812782 0.88 NR1H4 (0.54) SIRT2NR1H4LMNAMEN1KMT2A
SCHEMBL13812777 0.87 SIRT2 (0.59) SIRT2NR1H4LMNAMEN1KMT2A
SCHEMBL13812751 0.87 FADS1 (0.60) SIRT2NR1H4MEN1KMT2AKDM4E
SCHEMBL13812749 0.87 MET (0.60) SIRT2NR1H4MEN1KMT2AKDM4E
SCHEMBL13812545 0.87 MEN1 (0.55) SIRT2NR1H4LMNAMEN1KMT2A

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
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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