SCHEMBL8762476

SCHEMBL8762476

O=C(O)c1cccc(N(CC2CO2)CC2CO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
APEX1 P27695 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA6 P23280 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FOLH1 Q04609 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.39
KMO O15229 2/20 0.39
PPARA Q07869 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL17744812 0.89 LMNA (0.40) LMNAALDH1A1POLBL3MBTL1HSD17B10
SCHEMBL21266627 0.88 L3MBTL1 (0.42) LMNAALDH1A1POLBL3MBTL1HSD17B10
SCHEMBL21266626 0.87 L3MBTL1 (0.41) LMNAALDH1A1POLBL3MBTL1HSD17B10
SCHEMBL156988 0.82 LMNA (0.45) LMNAALDH1A1POLBL3MBTL1HSD17B10
SCHEMBL17480430 0.82 LMNA (0.45) LMNAALDH1A1POLBL3MBTL1HSD17B10
SCHEMBL17744772 0.81 HCRTR1 (0.47) ALDH1A1POLBHSD17B10KDM4ETP53
SCHEMBL19827998 0.78 ATM (0.44) LMNAALDH1A1POLBL3MBTL1HPGD
SCHEMBL29655226 0.78 ALDH1A1 (0.53) LMNACA12CA2CA9ALDH1A1
SCHEMBL36896 0.76 LMNA (0.54) LMNAALDH1A1POLBL3MBTL1HSD17B10
SCHEMBL17744862 0.75 MAOB (0.40) LMNAALDH1A1POLBL3MBTL1KDM4E

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
EP-0551989-B1 Epoxy interpenetrating polymer networks having internetwork bonds EXXON RESEARCH ENGINEERING CO (US) 1997-07-09 EP disclosed
US-5360877-A Impregnation of networks with epoxy resins for networks in oil fields EXXON RESEARCH AND ENGINEERING COMPANY (US) 1994-11-01 US disclosed
EP-0551989-A1 Epoxy interpenetrating polymer networks having internetwork bonds EXXON RESEARCH AND ENGINEERING COMPANY (US) 1993-07-21 EP disclosed