SCHEMBL8550167

SCHEMBL8550167

CCCCOC(=O)C(N=C(N)NC(C(=O)OCCCC)c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
ESR1 P03372 1/20 0.43
CYP2D6 P10635 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 2/20 0.37
NR5A1 Q13285 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PDE4D Q08499 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL8601269 0.80 MIF (0.36) MAPK1TSHRESR1LTA4H
SCHEMBL11638205 0.75 CTSK (0.47) SMN1; SMN2LMNAMAPK1CYP1A2TSHR
SCHEMBL13290804 0.74 TSHR (0.57) SMN1; SMN2LMNAMAPK1CYP1A2TSHR
SCHEMBL3654423 0.74 SMN1; SMN2 (0.52) SMN1; SMN2LMNAMAPK1CYP1A2TSHR
SCHEMBL11634740 0.73 CTSL (0.56) SMN1; SMN2MAPK1TSHRL3MBTL1CYP3A4
SCHEMBL1553456 0.71 FOLH1 (0.51) SMN1; SMN2LMNAMAPK1CYP1A2TSHR
SCHEMBL12487151 0.71 LMNA (0.47) SMN1; SMN2LMNAMAPK1CYP1A2TSHR
SCHEMBL388023 0.71 SMN1; SMN2 (0.60) SMN1; SMN2LMNAMAPK1CYP1A2TSHR
SCHEMBL7471348 0.70 CNR1 (0.45) SMN1; SMN2LMNAMAPK1CYP1A2TSHR
SCHEMBL11499291 0.70 SMN1; SMN2 (0.58) SMN1; SMN2LMNAMAPK1CYP1A2TSHR

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