SCHEMBL8553325

SCHEMBL8553325

CCCCOC(=O)NCCc1ccc(OCCC2Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL8552315 0.93 TSHR (0.43) PPARGALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL8554869 0.93 TP53 (0.45) PPARGALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL8555357 0.92 PPARG (0.46) PPARGALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL8644730 0.92 PPARG (0.47) PPARGALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL8554119 0.90 TSHR (0.43) PPARGALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL8603793 0.88 ALDH1A1 (0.45) PPARGALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL8555175 0.85 FAAH (0.50) PPARGALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL8665582 0.84 PPARG (0.45) PPARGALDH1A1TSHRTP53
SCHEMBL8555379 0.83 PPARG (0.48) PPARGALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL8555355 0.83 PPARG (0.46) PPARGALDH1A1SMN1; SMN2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed