SCHEMBL7470805

SCHEMBL7470805

Cc1ccc2c(c1)OC(CCO)C(=O)N2Cc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.54
LMNA P02545 2/20 0.54
USP2 O75604 1/20 0.54
MAPK1 P28482 1/20 0.54
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.46
XIAP P98170 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GSK3B P49841 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL7478778 0.93 TSHR (0.64) TSHRLMNAUSP2MAPK1ATM
SCHEMBL7470492 0.88 TSHR (0.53) TSHRLMNAUSP2MAPK1ATM
SCHEMBL7465749 0.88 GSK3B (0.48) TSHRLMNAUSP2MAPK1ATM
SCHEMBL7476798 0.86 TSHR (0.51) TSHRLMNAUSP2MAPK1ATM
SCHEMBL7472359 0.84 CASP1 (0.43) TSHRLMNAUSP2MAPK1ATM
SCHEMBL7477248 0.81 KMT2A (0.50) TSHRLMNAUSP2MAPK1ATM
SCHEMBL7461596 0.80 TSHR (0.46) TSHRLMNAUSP2MAPK1ATM
SCHEMBL7471315 0.80 ALDH1A1 (0.68) TSHRLMNAUSP2MAPK1ATM
SCHEMBL7475256 0.80 LMNA (0.45) TSHRLMNAUSP2MAPK1ATM
SCHEMBL7472497 0.79 TSHR (0.47) TSHRLMNAUSP2MAPK1ATM

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