SCHEMBL8035932

SCHEMBL8035932

C=CC(C)(C)OC(=O)COc1ccc(CBr)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL4265630 0.84 PTPN1 (0.51) PTPN1SMN1; SMN2CYP1A2GAALMNA
SCHEMBL1482201 0.76 PTGS2 (0.54) SMN1; SMN2PTGS2GAALMNAMEN1
SCHEMBL8091887 0.75 KDM4E (0.49) SMN1; SMN2CYP1A2GAANPC1MEN1
SCHEMBL16511669 0.74 PTPN1 (0.48) PTPN1SMN1; SMN2CYP1A2GAAPSEN1
SCHEMBL507298 0.74 AR (0.45) SMN1; SMN2LMNANPC1MEN1KMT2A
SCHEMBL30313115 0.73 SMN1; SMN2 (0.39) PTPN1SMN1; SMN2LMNAPSEN1PSEN2
SCHEMBL7228178 0.73 GAA (0.62) PTPN1SMN1; SMN2GAANPSR1MAPT
SCHEMBL8035757 0.73 PTPN1 (0.38) PTPN1SMN1; SMN2PTGS2CYP1A2GAA
SCHEMBL8035762 0.73 PTPN1 (0.38) PTPN1SMN1; SMN2PTGS2CYP1A2GAA
SCHEMBL8045270 0.71 MEN1 (0.42) SMN1; SMN2PTGS2CYP1A2GAAMEN1

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-6010826-A Resist composition NIPPON ZEON CO., LTD. (JP) 2000-01-04 US disclosed
EP-0786701-A1 RESIST COMPOSITION NIPPON ZEON CO., LTD. (JP) 1997-07-30 EP disclosed