SCHEMBL11684656

SCHEMBL11684656

COc1cc(C(=N)N)ccc1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.54
NR1H4 Q96RI1 1/20 0.51
HSD17B10 Q99714 1/20 0.49
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PLAU P00749 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GAA P10253 3/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 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
SCHEMBL10143558 0.89 PRSS1 (0.55) PRSS1F2F10PLAUCA12
SCHEMBL13901308 0.88 F10 (0.61) PRSS1NR1H4F2F10PLAU
SCHEMBL8862701 0.83 NR1H4 (0.58) NR1H4HSD17B10CA12CA1CA2
SCHEMBL11681875 0.82 F2 (0.55) PRSS1F2F10PLAU
SCHEMBL2331168 0.81 NR1H4 (0.56) NR1H4HSD17B10CA12CA1CA2
SCHEMBL28576874 0.81 PRSS1 (0.52) PRSS1F2F10PLAUCA12
SCHEMBL11683322 0.80 PRSS1 (0.55) PRSS1NR1H4F2F10PLAU
SCHEMBL6648829 0.80 PRSS1 (0.58) PRSS1F2F10PLAUPRSS2
SCHEMBL11848927 0.79 NR1H4 (0.57) NR1H4HSD17B10CA12CA1CA2
SCHEMBL10143576 0.78 PRSS1 (0.56) PRSS1F10PLAUPRSS2PRSS3

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
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed