SCHEMBL10885377

SCHEMBL10885377

COc1ccc(C[C@H](N)C([NH])=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
SLC6A4 P31645 1/20 0.58
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
DPP4 P27487 2/20 0.52
FAP Q12884 2/20 0.52
DPP8 Q6V1X1 2/20 0.52
DPP9 Q86TI2 2/20 0.52
DPP7 Q9UHL4 2/20 0.52
TPH1 P17752 2/20 0.50
ACACB O00763 1/20 0.48
POLB P06746 1/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
CTBP2 P56545 1/20 0.45
F2RL1 P55085 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
SCHEMBL10885375 1.00 LDHA (0.59) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL4655986 0.86 LDHA (0.62) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL13113076 0.86 LDHA (0.62) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL12104023 0.86 LDHA (0.62) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL158667 0.84 LDHA (0.71) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL126195 0.84 LDHA (0.71) LDHASLC6A4CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL11833376 0.84 LDHA (0.61) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL597743 0.84 LDHA (0.71) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL1587131 0.84 LDHA (0.61) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL1587128 0.84 LDHA (0.61) LDHASLC6A4CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP claimed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed