SCHEMBL7472497

SCHEMBL7472497

COC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)C(CCO)O2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MAPT P10636 8/20 0.47
TP53 P04637 5/20 0.46
USP2 O75604 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
XIAP P98170 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TGM2 P21980 1/20 0.41

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
SCHEMBL7476798 0.86 TSHR (0.51) TSHRMAPTUSP2MAPK1LMNA
SCHEMBL7469321 0.84 TSHR (0.58) TSHRMAPTUSP2MAPK1LMNA
SCHEMBL7478778 0.84 TSHR (0.64) TSHRMAPTTP53USP2MAPK1
SCHEMBL7470492 0.82 TSHR (0.53) TSHRMAPTUSP2MAPK1LMNA
SCHEMBL7473593 0.81 TSHR (0.61) TSHRTP53MAPK1HTTALDH1A1
SCHEMBL7461596 0.81 TSHR (0.46) TSHRMAPTUSP2MAPK1LMNA
SCHEMBL7475256 0.80 LMNA (0.45) TSHRMAPTUSP2MAPK1LMNA
SCHEMBL7470805 0.79 TSHR (0.54) TSHRMAPTTP53USP2MAPK1
SCHEMBL18593271 0.79 ALDH1A1 (0.56) TSHRMAPTTP53USP2MAPK1
SCHEMBL18581227 0.78 THRB (0.48) TSHRMAPTTP53USP2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed