SCHEMBL9011252

SCHEMBL9011252

CC(C)(C)C(=O)Oc1ccc(CCNC(=O)c2cccnc2)cc1OC(=O)C(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.71
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
MAPT P10636 1/20 0.57
GAA P10253 1/20 0.56
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
EPHX2 P34913 1/20 0.49
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9011269 0.88 MAPK1 (0.76) MAPK1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL9011305 0.86 KMT2A (0.73) MAPK1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL8723463 0.85 MAPK1 (0.52) MAPK1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL1971770 0.83 MAPK1 (1.00) MAPK1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL1070071 0.80 GPR132 (0.51) MAPK1LMNA
SCHEMBL9220680 0.79 MAPK1 (0.48) MAPK1KMT2AMEN1RAB9ANPC1
Iodide SCHEMBL9011297 0.79 MAPK1 (0.44) MAPK1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL9011223 0.79 MAPK1 (0.83) MAPK1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL21510393 0.78 KDM4E (0.52) SMN1; SMN2MAPTCYP3A4LMNAALDH1A1
SCHEMBL21510386 0.78 ADRB2 (0.49) KMT2ASMN1; SMN2MAPTCYP3A4LMNA

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 12 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-4880816-A Brain-specific delivery of dopamine utilizing dihydropyridine/pyridinium salt-type redox carriers UNIVERSITY OF FLORIDA (US) 1989-11-14 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
US-4727079-A Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides UNIVERSITY OF FLORIDA (US) 1988-02-23 US disclosed
US-4540564-A DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1985-09-10 US disclosed
US-4479932-A DIHYDROPYRIDINE PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1984-10-30 US disclosed
EP-0110955-A1 BRAIN-SPECIFIC DRUG DELIVERY. UNIV FLORIDA (US) 1984-06-20 EP disclosed
WO-1983003968-A1 BRAIN-SPECIFIC DRUG DELIVERY UNIVERSITY OF FLORIDA (US) 1983-11-24 WO disclosed