SCHEMBL8596034

SCHEMBL8596034

NCCc1cccc(OCCC2Oc3ccccc3N(Cc3ccccc3Cl)C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
HTT P42858 2/20 0.48
PPARG P37231 15/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8551428 0.93 TSHR (0.50) TSHRHTTPPARG
SCHEMBL8602443 0.90 HTT (0.51) TSHRHTTPPARGALDH1A1
SCHEMBL8595934 0.89 TSHR (0.44) TSHRPPARGALDH1A1
SCHEMBL8551630 0.88 TSHR (0.43) TSHRPPARGALDH1A1
SCHEMBL8554130 0.88 TSHR (0.43) TSHRPPARGALDH1A1
SCHEMBL8556015 0.86 HTT (0.53) TSHRHTTPPARG
SCHEMBL8600322 0.83 TSHR (0.42) TSHRHTTPPARG
SCHEMBL8594197 0.81 TSHR (0.45) TSHRPPARGALDH1A1
SCHEMBL8665582 0.81 PPARG (0.45) TSHRHTTPPARGALDH1A1
SCHEMBL8602959 0.81 TSHR (0.44) TSHRHTTPPARG

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 4 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
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed