SCHEMBL8551970

SCHEMBL8551970

CCCCOC(=O)N(Cc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.55
TSHR P16473 3/20 0.49
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
ESR1 P03372 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR1H2 P55055 1/20 0.48
RNASEL Q05823 1/20 0.48
PDK1 Q15118 2/20 0.44
RNF4 P78317 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5737663 0.83 TSHR (0.55) LTB4R2TSHRMAPK1TDP1L3MBTL1
SCHEMBL3656769 0.82 TSHR (0.51) LTB4R2TSHRMAPK1TDP1L3MBTL1
SCHEMBL9370539 0.79 TSHR (0.54) TSHRMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL11430998 0.77 TSHR (0.50) TSHRMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL11546490 0.77 TSHR (0.50) LTB4R2TSHRMAPK1TDP1L3MBTL1
SCHEMBL6266590 0.77 SMN1; SMN2 (0.49) LTB4R2TSHRMAPK1TDP1L3MBTL1
SCHEMBL1925076 0.77 ALDH1A1 (0.59) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7473118 0.77 LTB4R2 (0.49) LTB4R2ALDH1A1SMN1; SMN2PDK1PDK2
SCHEMBL1259310 0.76 PDK1 (0.58) LTB4R2TSHRALDH1A1SMN1; SMN2ESR1
SCHEMBL4921591 0.76 TSHR (0.49) LTB4R2TSHRMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed