SCHEMBL8601048

SCHEMBL8601048

CCC(=O)Oc1cccc(OCCC2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
XIAP P98170 1/20 0.44
PPARG P37231 11/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 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
SCHEMBL8605562 0.94 TSHR (0.50) TSHRALDH1A1SMN1; SMN2XIAPPPARG
SCHEMBL8553542 0.85 TSHR (0.49) TSHRALDH1A1SMN1; SMN2XIAPPPARG
SCHEMBL8554282 0.84 TSHR (0.48) TSHRXIAPPPARG
SCHEMBL8603117 0.83 TSHR (0.51) TSHRALDH1A1SMN1; SMN2XIAPPPARG
SCHEMBL8551630 0.82 TSHR (0.43) TSHRALDH1A1SMN1; SMN2XIAPPPARG
SCHEMBL8604044 0.82 TSHR (0.53) TSHRALDH1A1SMN1; SMN2XIAPPPARG
SCHEMBL8553538 0.82 TSHR (0.49) TSHRPPARG
SCHEMBL8602742 0.82 TSHR (0.55) TSHRALDH1A1SMN1; SMN2XIAPPPARG
SCHEMBL8557746 0.81 TSHR (0.45) TSHRALDH1A1SMN1; SMN2XIAPPPARG
SCHEMBL8605061 0.80 TSHR (0.53) TSHRALDH1A1SMN1; SMN2XIAPPPARG

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