SCHEMBL7962591

SCHEMBL7962591

COCCOCOc1cccc(OC(=O)CO)c1OCOCCOC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
IKBKB O14920 3/20 0.35
TSHR P16473 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 1/20 0.34
ALOX15 P16050 1/20 0.34
ACHE P22303 1/20 0.34
KCNH2 Q12809 1/20 0.34
HIF1A Q16665 1/20 0.34
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
RARA P10276 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
STING1 Q86WV6 1/20 0.33

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
SCHEMBL8124909 0.86 PTPN1 (0.59) PTPN1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL7962553 0.84 RARG (0.36) PTPN1IKBKBHIF1AF2ELANE
SCHEMBL7951479 0.81 SMN1; SMN2 (0.50) PTPN1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL7962589 0.78 PTPN1 (0.47) PTPN1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL8128464 0.77 FABP4 (0.38) PTPN1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL8125348 0.77 PTPN1 (0.37) PTPN1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL8119171 0.77 CASP3 (0.36) PTPN1L3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL7951484 0.76 FABP4 (0.50) PTPN1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL10971500 0.76 SMN1; SMN2 (0.60) LMNAL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL8649507 0.76 PTPN1 (0.36) PTPN1LMNAL3MBTL1MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
US-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed
US-5455238-A Bactericides ROUSSEL UCLAF (FR) 1995-10-03 US disclosed