SCHEMBL27984338

SCHEMBL27984338

CCCc1ccccc1OC/C=C/COC(=O)CC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.47
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ LTB4R Q15722 1/20 0.40
▸ LTB4R2 Q9NPC1 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL27984649 0.81 THRA (0.41) PPARDLTB4RLTB4R2MTNR1AMTNR1B
SCHEMBL27984300 0.78 MAPT (0.40) L3MBTL1RAB9APOLBNPC1
SCHEMBL27984593 0.75 HTR1D (0.43) L3MBTL1RAB9APOLB
SCHEMBL27984602 0.75 HTR1D (0.43) L3MBTL1RAB9APOLB
SCHEMBL28050539 0.74 HTR1A (0.44) PPARDCTSLCTSSCTSKLTB4R
SCHEMBL27764982 0.72 KMT2A (0.40) RAB9APOLBNPC1
SCHEMBL7335064 0.72 PPARD (0.75) PPARDLTB4RLTB4R2L3MBTL1
SCHEMBL28035599 0.71 MAOB (0.47) L3MBTL1
SCHEMBL2871402 0.71 PPARD (0.58) PPARDL3MBTL1RAB9ANPC1
SCHEMBL17398954 0.70 THRA (0.55) PPARDMTNR1AMTNR1BTHRATHRB

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
CN-102007118-B Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2014-12-31 — — CN disclosed
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