SCHEMBL7472334

SCHEMBL7472334

COC(=O)c1ccc(OC2CCOC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 8/20 0.55
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
VCAM1 P19320 1/20 0.46
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
ESRRA P11474 1/20 0.43

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
SCHEMBL19055417 1.00 POLB (0.60) POLBTDP1ALDH1A1HPGDNPSR1
SCHEMBL17049177 0.87 POLB (0.57) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL17049176 0.87 POLB (0.57) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL17049175 0.87 POLB (0.57) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL7472383 0.81 POLB (0.45) POLBTDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL18371959 0.81 POLB (0.46) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL7476840 0.81 POLB (0.46) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL17101115 0.81 ALDH1A1 (0.56) POLBTDP1ALDH1A1HPGDNPSR1
SCHEMBL17049181 0.79 POLB (0.46) POLBTDP1ALDH1A1NPSR1LMNA
SCHEMBL7468663 0.79 POLB (0.46) POLBTDP1ALDH1A1LMNASMN1; SMN2

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