SCHEMBL93281

SCHEMBL93281

O=C(O)c1cc2ccc(Oc3ccccc3)cc2oc1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.70
MAOB P27338 5/20 0.63
CA12 O43570 3/20 0.63
CA1 P00915 3/20 0.63
CA5A P35218 3/20 0.63
CA7 P43166 3/20 0.63
CA5B Q9Y2D0 3/20 0.63
CA3 P07451 2/20 0.63
CA6 P23280 2/20 0.63
CA9 Q16790 2/20 0.63
CA14 Q9ULX7 2/20 0.63
GPR35 Q9HC97 2/20 0.63
CA4 P22748 2/20 0.63
TSHR P16473 1/20 0.63
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 4/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL9813838 0.89 SLC16A3 (0.67) SLC16A3MAOBCA12CA1CA5A
SCHEMBL4758088 0.87 SLC16A3 (0.81) SLC16A3MAOBCA12CA1CA5A
SCHEMBL14413000 0.85 SLC16A3 (0.61) SLC16A3MAOBCA12CA1CA5A
SCHEMBL18580402 0.83 NPC1 (0.59) SLC16A3MAOBCA12CA1CA5A
SCHEMBL9813837 0.82 SLC16A3 (0.58) SLC16A3MAOBCA12CA1CA5A
SCHEMBL203997 0.82 SLC16A3 (1.00) SLC16A3MAOBCA12CA1CA5A
SCHEMBL9813833 0.82 SLC16A3 (0.64) SLC16A3MAOBCA12CA1CA5A
SCHEMBL93260 0.81 SLC16A3 (1.00) SLC16A3MAOBCA12CA1CA5A
SCHEMBL31222311 0.80 SLC16A3 (0.74) SLC16A3MAOBCA12CA1CA5A
SCHEMBL4101829 0.80 SLC16A3 (0.74) SLC16A3MAOBCA12CA1CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611912-B1 NOVEL MONOOXYGENASE VARIANTS BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2016-11-02 EP disclosed
EP-2611912-A2 NOVEL MONOOXYGENASE VARIANTS B.R.A.I.N. Biotechnology Research and Information Network AG (DE) 2013-07-10 EP disclosed
WO-2012028709-A2 NOVEL MONOOXYGENASE VARIANTS B.R.A.I.N. BIOTECHNOLOGY RESEARCH AND INFORMATION NETWORK AG (DE) 2012-03-08 WO disclosed
EP-2426198-A1 Cytochrome P450 monooxygenase variants B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2012-03-07 EP disclosed