SCHEMBL6634775

SCHEMBL6634775

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(C)[C@@H](Cc3ccccc3)C(=O)NCc3cccnc3)oc(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.50
ELANE P08246 1/20 0.50
CYP3A4 P08684 12/20 0.42
POLB P06746 1/20 0.39
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL6635088 0.93 CTRB1 (0.51) CTRB1ELANECYP3A4
SCHEMBL6638083 0.91 CTRB1 (0.52) CTRB1ELANECYP3A4POLBPKM
SCHEMBL6633862 0.89 CTRB1 (0.51) CTRB1ELANECYP3A4KMT2A
SCHEMBL6639087 0.87 CTRB1 (0.49) CTRB1ELANECYP3A4PKMKMT2A
SCHEMBL6634778 0.87 CTRB1 (0.52) CTRB1ELANECYP3A4POLBPKM
SCHEMBL6639323 0.84 CTRB1 (0.49) CTRB1ELANECYP3A4KMT2A
SCHEMBL6638087 0.83 CYP3A4 (0.47) CTRB1ELANECYP3A4POLBKMT2A
SCHEMBL6636916 0.81 CTRB1 (0.50) CTRB1ELANECYP3A4PKMKMT2A
SCHEMBL6637518 0.81 CTRB1 (0.53) CTRB1ELANECYP3A4POLBKMT2A
SCHEMBL6635224 0.81 CTRB1 (0.59) CTRB1ELANECYP3A4POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116420-A1 Remedial agent for viral infectious disease ASAHI KASEI PHARMA CORPORATION (JP) 2004-06-17 US disclosed
EP-1403269-A1 REMEDIAL AGENT FOR VIRAL INFECTIOUS DISEASE Asahi Kasei Pharma Corporation (JP) 2004-03-31 EP disclosed