SCHEMBL8600322

SCHEMBL8600322

CC(C)(C)OC(=O)NCCc1cccc(OCCC2Oc3ccccc3N(Cc3ccccc3Cl)C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
PPARG P37231 14/20 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
SCHEMBL8602959 0.93 TSHR (0.44) TSHRHTTPPARG
SCHEMBL8604513 0.92 TSHR (0.44) TSHRHTTMEN1LMNAKMT2A
SCHEMBL8665582 0.88 PPARG (0.45) TSHRHTTTP53PPARG
SCHEMBL8602935 0.86 TSHR (0.46) TSHRHTTTP53PPARG
SCHEMBL8604584 0.84 KDM4E (0.45) TSHRTP53PPARG
SCHEMBL8599845 0.83 TSHR (0.46) TSHRTP53PPARG
SCHEMBL8603793 0.83 ALDH1A1 (0.45) TSHRLMNATP53PPARG
SCHEMBL8596034 0.83 TSHR (0.48) TSHRHTTPPARG
SCHEMBL8557139 0.81 TP53 (0.42) HTTTP53PPARG
SCHEMBL8605054 0.81 TSHR (0.43) TSHRTP53PPARG

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
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