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SCHEMBL8555355

SCHEMBL8555355

CCCCOC(=O)C(N)c1ccc(OCCC2Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 16/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ XIAP P98170 1/20 0.39

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
SCHEMBL8555170 0.92 PPARG (0.43) PPARGALDH1A1SMN1; SMN2TSHRXIAP
SCHEMBL8555378 0.90 PPARG (0.49) PPARGTSHR
SCHEMBL8555357 0.85 PPARG (0.46) PPARGALDH1A1SMN1; SMN2TSHR
SCHEMBL8553325 0.83 PPARG (0.45) PPARGALDH1A1SMN1; SMN2TSHR
SCHEMBL8550746 0.82 PPARG (0.48) PPARGTSHR
SCHEMBL8555694 0.81 ALDH1A1 (0.46) PPARGALDH1A1SMN1; SMN2TSHR
SCHEMBL7473022 0.79 ALDH1A1 (0.43) PPARGALDH1A1SMN1; SMN2TSHR
SCHEMBL8551698 0.79 ALDH1A1 (0.45) PPARGALDH1A1SMN1; SMN2TSHR
SCHEMBL8554869 0.79 TP53 (0.45) PPARGALDH1A1SMN1; SMN2TSHR
SCHEMBL8555175 0.78 FAAH (0.50) PPARGALDH1A1SMN1; SMN2TSHRXIAP

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