SCHEMBL9011265

SCHEMBL9011265

O=C(CCCNC(=O)c1cnc2ccccc2c1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
STAMBP O95630 1/20 0.51
HDAC2 Q92769 1/20 0.50
HSP90AA1 P07900 2/20 0.49
HPGDS O60760 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
BCAT1 P54687 1/20 0.47
CFTR P13569 1/20 0.47
MGAM O43451 1/20 0.47
TNKS O95271 1/20 0.46
PPARD Q03181 1/20 0.46

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
SCHEMBL6741897 0.80 MGAM (0.60) KDM4EALDH1A1HPGDSMN1; SMN2BCAT1
SCHEMBL20224973 0.79 L3MBTL1 (0.53) HDAC3HDAC1HDAC2KDM4EALDH1A1
SCHEMBL10242977 0.78 HDAC3 (0.61) HDAC3HDAC1HDAC2HPGDSSMN1; SMN2
SCHEMBL9011202 0.77 EPHX2 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL24392693 0.77 HPGDS (0.70) HDAC3HDAC1HDAC2HPGDSSMN1; SMN2
SCHEMBL5020897 0.77 HDAC3 (0.61) HDAC3HDAC1HDAC2SMN1; SMN2DRD2
Iodide SCHEMBL9011381 0.76 HSP90AA1 (0.49) STAMBPHSP90AA1KDM4EALDH1A1HPGD
SCHEMBL2639346 0.75 MGAM (0.56) HDAC3HDAC1HDAC2HPGDSDRD2
SCHEMBL29222038 0.75 HDAC3 (0.61) HDAC3HDAC1HDAC2HPGDSDRD2
SCHEMBL2639342 0.75 PPARD (0.57) HDAC3HDAC1HDAC2HPGDSDRD2

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