SCHEMBL9813833

SCHEMBL9813833

Cc1cc(Oc2ccc3cc(C(=O)O)c(=O)oc3c2)ccc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.64
MAOB P27338 7/20 0.53
ALDH1A1 P00352 6/20 0.51
HPGD P15428 5/20 0.51
CA12 O43570 5/20 0.51
CA7 P43166 5/20 0.51
KDM4E B2RXH2 5/20 0.51
CA2 P00918 4/20 0.51
CA1 P00915 4/20 0.51
CA5A P35218 4/20 0.51
CA5B Q9Y2D0 4/20 0.51
CA6 P23280 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
GAA P10253 3/20 0.51
CA3 P07451 3/20 0.51
CA4 P22748 4/20 0.50
GLA P06280 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL9813865 0.88 SLC16A3 (0.61) SLC16A3MAOBALDH1A1HPGDCA12
SCHEMBL9813838 0.85 SLC16A3 (0.67) SLC16A3MAOBALDH1A1HPGDCA12
SCHEMBL93281 0.82 SLC16A3 (0.70) SLC16A3MAOBALDH1A1HPGDCA12
SCHEMBL203997 0.79 SLC16A3 (1.00) SLC16A3MAOBALDH1A1HPGDCA12
SCHEMBL4101829 0.77 SLC16A3 (0.74) SLC16A3MAOBALDH1A1HPGDCA12
SCHEMBL31222311 0.77 SLC16A3 (0.74) SLC16A3MAOBALDH1A1HPGDCA12
SCHEMBL17704676 0.76 ALDH1A1 (0.75) SLC16A3MAOBALDH1A1HPGDCA12
SCHEMBL6418713 0.74 SLC16A3 (0.75) SLC16A3MAOBALDH1A1HPGDCA12
SCHEMBL10305750 0.74 CA12 (0.77) SLC16A3MAOBALDH1A1HPGDCA12
SCHEMBL18526381 0.74 GPR35 (0.63) SLC16A3MAOBALDH1A1HPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0110682-B1 ACTIVATED ARYL CAPPED FLUORESCENT COMPOUNDS, AND ASSAY METHODS AND SYSTEMS USING THEM AS FLUOROGENIC PRECURSORS SYVA COMPANY (US) 1991-08-21 EP claimed
EP-0110682-A2 Activated aryl capped fluorescent compounds, and assay methods and systems using them as fluorogenic precursors SYVA COMPANY (US) 1984-06-13 EP claimed
EP-0110682-B1 ACTIVATED ARYL CAPPED FLUORESCENT COMPOUNDS, AND ASSAY METHODS AND SYSTEMS USING THEM AS FLUOROGENIC PRECURSORS SYVA COMPANY (US) 1991-08-21 EP disclosed
US-4857455-A WATER SOLUBLE ACTIVATED CAPPED AROMATIC FLUORESCENT COMPOUNDS SYNTEX (U.S.A) INC. (US) 1989-08-15 US disclosed
EP-0110682-A2 Activated aryl capped fluorescent compounds, and assay methods and systems using them as fluorogenic precursors SYVA COMPANY (US) 1984-06-13 EP disclosed