SCHEMBL8552315

SCHEMBL8552315

CCCCOC(=O)NCCc1ccc(OCCC2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TP53 P04637 2/20 0.43
PPARG P37231 7/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.41
XIAP P98170 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL8554119 0.96 TSHR (0.43) TSHRTP53PPARGALDH1A1SMN1; SMN2
SCHEMBL8553325 0.93 PPARG (0.45) TSHRTP53PPARGALDH1A1SMN1; SMN2
SCHEMBL8555175 0.93 FAAH (0.50) TSHRTP53PPARGALDH1A1SMN1; SMN2
SCHEMBL8554869 0.91 TP53 (0.45) TSHRTP53PPARGALDH1A1SMN1; SMN2
SCHEMBL8604584 0.89 KDM4E (0.45) TSHRTP53PPARGALDH1A1SMN1; SMN2
SCHEMBL8644730 0.88 PPARG (0.47) TSHRTP53PPARGALDH1A1SMN1; SMN2
SCHEMBL8603405 0.86 TSHR (0.42) TSHRTP53PPARGALDH1A1SMN1; SMN2
SCHEMBL8665582 0.85 PPARG (0.45) TSHRTP53PPARGALDH1A1
SCHEMBL8555357 0.85 PPARG (0.46) TSHRTP53PPARGALDH1A1SMN1; SMN2
SCHEMBL8605061 0.84 TSHR (0.53) TSHRPPARGALDH1A1SMN1; SMN2XIAP

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