SCHEMBL16098965

SCHEMBL16098965

O=P(O)(O)OC(O)[C@H]1OC(Nc2ccccc2)[C@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CA1 P00915 10/20 0.33
CA2 P00918 10/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16008962 1.00 RAB9A (0.38) RAB9AMAPTMAPK1NPC1POLB
SCHEMBL9848321 0.74 MEN1 (0.30) SMN1; SMN2
SCHEMBL2818963 0.72 FBP1 (0.55) RAB9ANPC1CA1CA2TSHR
SCHEMBL1513025 0.72 FBP1 (0.55) RAB9ANPC1CA1CA2TSHR
SCHEMBL2292031 0.70
SCHEMBL11211804 0.69 ITPR3 (0.33)
SCHEMBL2287366 0.69 HPRT1 (0.32)
SCHEMBL11875859 0.69
SCHEMBL30565333 0.68 RAB9A (0.48) RAB9AMAPTMAPK1NPC1POLB
SCHEMBL25084179 0.67 RAB9A (0.51) RAB9AMAPTMAPK1NPC1POLB

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-2969977-A2 INHIBITION OF METHANE PRODUCTION DURING ANAEROBIC REDUCTIVE DECHLORINATION Innovative Environmental Technologies, Inc. (US) 2016-01-20 EP claimed
WO-2014153567-A2 INHIBITION OF METHANE PRODUCTION DURING ANAEROBIC REDUCTIVE DECHLORINATION INNOVATIVE ENVIRONMENTAL TECHNOLOGIES, INC. (US) 2014-09-25 WO claimed
EP-2969977-A2 INHIBITION OF METHANE PRODUCTION DURING ANAEROBIC REDUCTIVE DECHLORINATION Innovative Environmental Technologies, Inc. (US) 2016-01-20 EP disclosed
WO-2014153567-A2 INHIBITION OF METHANE PRODUCTION DURING ANAEROBIC REDUCTIVE DECHLORINATION INNOVATIVE ENVIRONMENTAL TECHNOLOGIES, INC. (US) 2014-09-25 WO disclosed