SCHEMBL8035709

SCHEMBL8035709

COc1cc(C(=O)O)cc(NC(=O)OC(C)(C)C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA3 P07451 1/20 0.45
PKM P14618 1/20 0.45
CA5A P35218 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
PTGS2 P35354 1/20 0.43
CNR2 P34972 1/20 0.42
TPMT P51580 2/20 0.41
RXFP1 Q9HBX9 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 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
SCHEMBL8023974 0.89 CNR2 (0.41) CA12CA1CA2CA7CA9
SCHEMBL4768199 0.83 GAA (0.41) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL30362191 0.82 PPARG (0.55) CA12CA1CA2CA4CA6
SCHEMBL3982009 0.82 PPARG (0.55) CA12CA1CA2CA4CA6
SCHEMBL113522 0.82 CA12 (0.53) CA12CA1CA2CA4CA6
SCHEMBL8035688 0.79 CA12 (0.38) CA12CA1CA2CA4CA6
SCHEMBL145260 0.76 ALDH1A1 (0.51) CA12CA1CA9PKMRXFP1
SCHEMBL8508438 0.76 CA12 (0.46) CA12CA1CA2CA4CA6
SCHEMBL27297 0.75 P2RX7 (0.48) RXFP1KMT2ALMNAGAAALDH1A1
SCHEMBL2283371 0.75 PPARG (0.51) MEN1KMT2ALMNAGAAALDH1A1

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-0987250-A1 INDOLE DICARBOXYLIC ACID DERIVATIVES SHIONOGI & CO., LTD. (JP) 2000-03-22 EP disclosed