SCHEMBL7468634

SCHEMBL7468634

COc1ccccc1CN1C(=O)C(CCO)Oc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
XIAP P98170 1/20 0.51
PPARG P37231 12/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7474325 0.82 TSHR (0.65) HTTXIAPPPARGTSHRALDH1A1
SCHEMBL7467559 0.81 TSHR (0.58) HTTTSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL7473032 0.80 HTT (0.52) HTTXIAPPPARGTSHRALDH1A1
SCHEMBL8555413 0.80 HTT (0.52) HTTPPARGTSHRALDH1A1SMN1; SMN2
SCHEMBL7476860 0.79 TSHR (0.64) HTTPPARGTSHRMAPK1USP2
SCHEMBL7465025 0.79 TSHR (0.55) HTTTSHRMAPK1USP2ALDH1A1
SCHEMBL7471315 0.77 ALDH1A1 (0.68) HTTXIAPTSHRMAPK1USP2
SCHEMBL7473593 0.76 TSHR (0.61) HTTPPARGTSHRMAPK1ALDH1A1
SCHEMBL8552816 0.76 PPARG (0.46) XIAPPPARG
SCHEMBL7473291 0.76 TSHR (0.54) HTTXIAPPPARGTSHRALDH1A1

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 3 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
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed