SCHEMBL6333576

SCHEMBL6333576

CCCOc1ccc(C(C)(c2ccc(OCCC)cc2)c2ccc(OCCC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
ACACB O00763 2/20 0.50
PLK1 P53350 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
PSMB1 P20618 2/20 0.46
PSMB5 P28074 2/20 0.46
PSMB2 P49721 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL12716987 0.88 PSMB1 (0.49) LTA4HACACBPLK1ALDH1A1LMNA
SCHEMBL271059 0.87 KDM4E (0.56) LTA4HACACBPLK1CA12CA1
SCHEMBL84118 0.87 SMN1; SMN2 (0.58) LTA4HACACBPLK1CA12CA1
1,4-Dipropoxybenzene SCHEMBL122039 0.83 LTA4H (0.67) LTA4HPLK1CA12CA1CA2
SCHEMBL29337533 0.83 CA12 (0.50) LTA4HACACBPLK1CA12CA1
SCHEMBL13311537 0.82 NQO1 (0.67) LTA4HPLK1CA12CA1CA2
SCHEMBL1456663 0.82 THRA (0.45) KDM4EMEN1KMT2AMAOBHRH3
SCHEMBL15384650 0.82 NQO1 (0.54) LTA4HACACBPLK1CA12CA1
SCHEMBL20486803 0.81 LTA4H (0.66) LTA4HALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10695520 0.81 LTA4H (0.55) LTA4HACACBPLK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852795-B2 Prepolymeric (meth)acrylates with polycyclic or aromatic segments 3M ESPE AG (DE) 2005-02-08 US disclosed
EP-1284979-B1 PREPOLYMERIC (METH)ACRYLATES WITH POLYCYCLIC OR AROMATIC SEGMENTS 3M ESPE AG (DE) 2004-12-29 EP disclosed
US-20030166816-A1 Prepolymeric (meth) acrylates with polycyclic or aromatic segments 3M INNOVATIVE PROPERTIES COMPANY 2003-09-04 US disclosed
US-6566413-B1 For dental and dental engineering applications 3M ESPE AG (DE) 2003-05-20 US disclosed
EP-1139973-B1 POLYMERISABLE MATERIALS WHICH ARE BASED ON HARDENABLE SILOXANE COMPOUNDS 3M ESPE AG (DE) 2003-04-23 EP disclosed
EP-1139973-A2 POLYMERISABLE MATERIALS WHICH ARE BASED ON HARDENABLE SILOXANE COMPOUNDS ESPE Dental AG (DE) 2001-10-10 EP disclosed
WO-2000038619-A2 POLYMERISABLE MATERIALS WHICH ARE BASED ON HARDENABLE SILOXANE COMPOUNDS 3M ESPE AG (DE) 2000-07-06 WO disclosed