Sugi Predict

Sugi Predict / Compounds / SCHEMBL8665582

SCHEMBL8665582

SCHEMBL8665582

CCCCOC(=O)NCCc1cccc(OCCC2Oc3ccccc3N(Cc3ccccc3Cl)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 14/20 0.45
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP2D6 P10635 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL8644730 0.93 PPARG (0.47) PPARGTP53TSHRHTTALDH1A1
SCHEMBL8554869 0.91 TP53 (0.45) PPARGTP53TSHRCYP2D6ALDH1A1
SCHEMBL8600322 0.88 TSHR (0.42) PPARGTP53TSHRHTT
SCHEMBL8555379 0.87 PPARG (0.48) PPARGTP53TSHRHTTALDH1A1
SCHEMBL8552315 0.85 TSHR (0.43) PPARGTP53TSHRALDH1A1
SCHEMBL8553325 0.84 PPARG (0.45) PPARGTP53TSHRALDH1A1
SCHEMBL8554119 0.82 TSHR (0.43) PPARGTP53TSHRALDH1A1
SCHEMBL8550746 0.82 PPARG (0.48) PPARGTSHRHTT
SCHEMBL8604513 0.81 TSHR (0.44) PPARGTP53TSHRHTTALDH1A1
SCHEMBL8596034 0.81 TSHR (0.48) PPARGTSHRHTTALDH1A1

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