SCHEMBL9011337

SCHEMBL9011337

CCOC(=O)C(Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ TP53 P04637 1/20 0.45
▸ GRIA1 P42261 1/20 0.45
▸ CTSV O60911 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPK1 P28482 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
SCHEMBL8722708 0.88 GRIA1 (0.56) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL8722398 0.88 GRIA1 (0.56) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL1071229 0.85 CA1 (0.60) GRIA1CTSVCTSLCTSBCTSS
SCHEMBL9222653 0.82 LCK (0.54) KDM4ELCKGAANPC1MEN1
SCHEMBL9011246 0.81 MAPK1 (0.44) ALDH1A1MAPTKDM4EHPGDTP53
SCHEMBL29809632 0.79 ECE1 (0.54) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL2229647 0.79 LNPEP (0.60) GAAGRIA1CTSLRAB9AMEN1
SCHEMBL20026567 0.76 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDTP53
SCHEMBL6860349 0.76 ECE1 (0.62) ALDH1A1HSD17B10GAACTSVCTSL
SCHEMBL11854802 0.76 LCK (0.55) ALDH1A1MAPTKDM4EHPGDHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 — — US disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 — — US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 — — US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 — — US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 — — US disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 — — US disclosed
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