SCHEMBL17892024

SCHEMBL17892024

COc1ccc(COc2ccccc2CC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CFD P00746 2/20 0.54
▸ F11 P03951 2/20 0.54
▸ TPSB2 P20231 2/20 0.54
▸ PLG P00747 1/20 0.54
▸ PLAU P00749 1/20 0.54
▸ KLKB1 P03952 1/20 0.54
▸ F7 P08709 1/20 0.54
▸ RXRA P19793 1/20 0.54
▸ FFAR1 O14842 1/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ MMP2 P08253 2/20 0.52
▸ MMP12 P39900 2/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP13 P45452 1/20 0.52

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
SCHEMBL16861302 0.89 ABCB1 (0.63) ABCB1L3MBTL1RXRAFFAR1NPC1
SCHEMBL31757965 0.86 CFD (0.68) L3MBTL1CFDF11TPSB2PLG
SCHEMBL1007508 0.86 CFD (0.68) L3MBTL1CFDF11TPSB2PLG
SCHEMBL5122876 0.84 MTNR1A (0.57) ABCB1L3MBTL1CFDF11TPSB2
SCHEMBL21438534 0.84 HSD17B10 (0.68) ABCB1L3MBTL1HTR1ADRD2PTGER1
SCHEMBL5092502 0.84 CFD (0.58) L3MBTL1CFDF11TPSB2PLG
SCHEMBL22193705 0.83 ABCB1 (0.70) ABCB1L3MBTL1RXRANPC1RAB9A
SCHEMBL8965051 0.83 ABCB1 (0.62) ABCB1L3MBTL1NPC1RAB9AATM
SCHEMBL28900188 0.82 PTGER1 (0.68) CFDF11TPSB2PLGPLAU
SCHEMBL2539350 0.82 L3MBTL1 (0.53) L3MBTL1CFDF11TPSB2PLG

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-3240419-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 — — EP disclosed
EP-3240420-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 — — EP disclosed
WO-2016109303-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109302-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
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