SCHEMBL7478182

SCHEMBL7478182

COc1ccc2c(c1)OC(CCO)C(=O)N2Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
APP P05067 2/20 0.41
SNCA P37840 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PIK3CD O00329 1/20 0.40
PLA2G2A P14555 1/20 0.40

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
SCHEMBL7470312 0.90 ALDH1A1 (0.48) ALDH1A1HPGDHTTTSHRSIRT2
SCHEMBL7472270 0.87 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL189949 0.85 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2TSHRAPP
SCHEMBL7474357 0.83 CASP1 (0.53) ALDH1A1HPGDHTTMAPTSMN1; SMN2
SCHEMBL7472359 0.83 CASP1 (0.43) ALDH1A1HPGDHTTMAPTSMN1; SMN2
SCHEMBL7465025 0.82 TSHR (0.55) ALDH1A1HPGDHTTMAPTSMN1; SMN2
SCHEMBL7472634 0.82 ALDH1A1 (0.46) ALDH1A1HPGDHTTTSHRSIRT2
SCHEMBL7468750 0.81 CASP3 (0.44) ALDH1A1HPGDHTTMAPTSMN1; SMN2
SCHEMBL8603252 0.81 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2SIRT2SIRT1
SCHEMBL17434616 0.77 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1

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