SCHEMBL9011246

SCHEMBL9011246

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
USP30 Q70CQ3 1/20 0.42
GPR132 Q9UNW8 5/20 0.41
KMT2A Q03164 2/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
CMKLR2 P46091 1/20 0.40
CMKLR1 Q99788 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1070071 0.90 GPR132 (0.51) MAPK1USP30GPR132CTSVCTSL
SCHEMBL9220680 0.85 MAPK1 (0.48) MAPK1ALDH1A1USP30KMT2AKDM4E
SCHEMBL9011337 0.81 ALDH1A1 (0.48) MAPK1SMN1; SMN2ALDH1A1MAPTGPR132
SCHEMBL8722708 0.80 GRIA1 (0.56) SMN1; SMN2ALDH1A1MAPTGPR132KMT2A
SCHEMBL8722398 0.80 GRIA1 (0.56) SMN1; SMN2ALDH1A1MAPTGPR132KMT2A
SCHEMBL1070049 0.79 GPR132 (0.52) MAPK1GPR132CTSVCTSLCTSB
SCHEMBL1071435 0.78 GPR132 (0.54) MAPK1GPR132CMKLR2CMKLR1
SCHEMBL11859682 0.78 PTPN1 (0.52) GPR132CTSL
SCHEMBL9011252 0.77 MAPK1 (0.71) MAPK1SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL29809632 0.74 ECE1 (0.54) MAPK1SMN1; SMN2ALDH1A1MAPTKMT2A

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