SCHEMBL7475955

SCHEMBL7475955

CCOC(=O)c1ccccc1CN1C(=O)C(CCO)Oc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 3/20 0.46
PPARG P37231 11/20 0.45
BRD4 O60885 1/20 0.44

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
SCHEMBL8555413 0.85 HTT (0.52) HTTSMN1; SMN2ALDH1A1TSHRPPARG
SCHEMBL8552185 0.81 PPARG (0.45) HTTSMN1; SMN2ALDH1A1PPARG
SCHEMBL7468634 0.79 HTT (0.54) HTTSMN1; SMN2ALDH1A1TSHRPPARG
SCHEMBL8557139 0.76 TP53 (0.42) HTTSMN1; SMN2ALDH1A1PPARG
SCHEMBL7467559 0.73 TSHR (0.58) HTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL7475652 0.72 PPARG (0.61) PPARG
SCHEMBL14381314 0.71 PPARG (0.62) PPARG
SCHEMBL8602166 0.70 NPC1 (0.43) HTTSMN1; SMN2ALDH1A1TSHRPPARG
SCHEMBL7471998 0.69 TSHR (0.48) HTTSMN1; SMN2ALDH1A1TSHRPPARG
SCHEMBL14507328 0.69 PPARG (0.42) HTTSMN1; SMN2ALDH1A1TSHRPPARG

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 1 patent. 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