SCHEMBL25780554

SCHEMBL25780554

CC(C)(C)OC(=O)CCCCCCCOc1cccc(C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.51
PARP1 P09874 1/20 0.48
PLA2G4B P0C869 1/20 0.47
SMPD1 P17405 3/20 0.47
KMT2A Q03164 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 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
SCHEMBL15110304 0.86 KMT2A (0.61) PLA2G4BSMPD1KMT2ATHRATHRB
SCHEMBL30856532 0.86 KMT2A (0.61) PLA2G4BSMPD1KMT2ATHRATHRB
SCHEMBL203967 0.86 PARP1 (0.55) PRSS1PARP1PLA2G4BSMPD1KMT2A
SCHEMBL202662 0.84 PRSS1 (0.52) PRSS1PARP1PLA2G4BSMPD1KMT2A
SCHEMBL20230313 0.83 KMT2A (0.52) KMT2A
SCHEMBL20230319 0.83 KMT2A (0.52) KMT2A
SCHEMBL5047908 0.83 PARP1 (0.54) PARP1PLA2G4BKMT2A
SCHEMBL2183003 0.81 SMPD1 (0.49) PRSS1PLA2G4BSMPD1KMT2ATHRA
SCHEMBL2183818 0.81 SMPD1 (0.49) PRSS1PLA2G4BSMPD1KMT2ATHRA
SCHEMBL1387170 0.81 PRSS1 (0.62) PRSS1PARP1SMPD1KMT2AHTR1A

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
EP-3548492-B1 CELL IMPERMEABLE COELENTERAZINE ANALOGUES PROMEGA CORP (US) 2023-07-05 EP disclosed