SCHEMBL9071442

SCHEMBL9071442

C=CCOc1cc(OC(C)C)cc(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PLAU P00749 2/20 0.38
▸ GCK P35557 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PLAT P00750 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ RARA P10276 1/20 0.37

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
SCHEMBL5821296 0.88 CA12 (0.42) PARP10ALDH1A1NPC1POLBMAPT
SCHEMBL9071474 0.81 GCK (0.53) PARP10PLAUGCKKMT2AF2
SCHEMBL9071440 0.79 PARP10 (0.50) PARP10ALDH1A1SMN1; SMN2PLAUGCK
SCHEMBL2666400 0.78 PARP10 (0.49) PARP10ALDH1A1PLAUGCKKMT2A
SCHEMBL5228091 0.78 ADRB2 (0.40) ALDH1A1ADRB2ADRB1ADRB3NPC1
SCHEMBL14017929 0.77 PARP10 (0.47) PARP10PLAUGCKKMT2AF2
SCHEMBL14018037 0.77 PARP10 (0.47) PARP10ALDH1A1PLAUGCKKMT2A
SCHEMBL14018622 0.76 PARP10 (0.56) PARP10GCKIRAK4
SCHEMBL9071441 0.76 PARP10 (0.53) PARP10ALDH1A1PLAUKMT2AF2
SCHEMBL14017899 0.76 PARP10 (0.53) PARP10ALDH1A1PLAUGCKKMT2A

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
WO-2003015774-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2003-02-27 — — WO disclosed
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