SCHEMBL11301358

SCHEMBL11301358

Cc1cn([C@H]2C[C@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](COC(=O)COc3ccccc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.53
ABCG2 Q9UNQ0 3/20 0.47
ABCB1 P08183 1/20 0.47
TK1 P04183 5/20 0.44
TK2 O00142 1/20 0.43

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
SCHEMBL4194754 0.86 POLB (0.55) RNASE1TK1
SCHEMBL6320524 0.84 RNASE1 (0.70) RNASE1TK1TK2
SCHEMBL8357811 0.83 RNASE1 (0.54) RNASE1TK1TK2
SCHEMBL7746817 0.82 RNASE1 (0.57) RNASE1TK1TK2
SCHEMBL7746814 0.82 RNASE1 (0.57) RNASE1TK1TK2
SCHEMBL20462962 0.81 RNASE1 (0.52) RNASE1ABCG2ABCB1TK1
SCHEMBL6323173 0.81 RNASE1 (0.51) RNASE1TK1TK2
SCHEMBL8614678 0.81 RNASE1 (0.74) RNASE1TK1TK2
SCHEMBL8614681 0.81 RNASE1 (0.74) RNASE1TK1TK2
SCHEMBL25400848 0.80 RNASE1 (0.63) RNASE1TK1TK2

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
JP-56113794-A None JP disclosed
JP-S56113794-A CARCINOSTATIC AGENT AND ITS PREPARATION NISSEI MARINE KOGYO KK 1981-09-07 JP disclosed