SCHEMBL22071701

SCHEMBL22071701

COC(=O)c1nc2cc(C)c(C)cc2n(C[C@H](O)[C@H](O)[C@H](O)COCCO)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 5/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ CYP3A4 P08684 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ HAT1 O14929 3/20 0.44
▸ RBBP7 Q16576 3/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ BRCA1 P38398 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ TST Q16762 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ HBB P68871 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL22071700 0.90 ESR1 (0.44) USP2MEN1KMT2AMAPTKDM4E
SCHEMBL22071681 0.88 USP2 (0.56) USP2MEN1KMT2AMAPTKDM4E
SCHEMBL22071673 0.88 USP2 (0.56) USP2MEN1KMT2AMAPTKDM4E
SCHEMBL22071726 0.85 USP2 (0.45) USP2MEN1KMT2AMAPTKDM4E
SCHEMBL22071722 0.84 KDM4E (0.45) USP2MEN1KMT2AMAPTKDM4E
SCHEMBL22071729 0.83 MEN1 (0.53) USP2MEN1KMT2AMAPTKDM4E
SCHEMBL22071702 0.80 MEN1 (0.48) USP2MEN1KMT2AMAPTKDM4E
SCHEMBL22071680 0.79 MEN1 (0.55) USP2MEN1KMT2AMAPTKDM4E
SCHEMBL22071669 0.79 MEN1 (0.55) USP2MEN1KMT2AMAPTKDM4E
SCHEMBL22071670 0.77 KMT2A (0.58) USP2MEN1KMT2AMAPTKDM4E

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-2020117974-A1 COMPOUNDS AND COMPOSITIONS FOR EYE TREATMENTS AVEDRO, INC. (US) 2020-06-11 — — WO disclosed
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