SCHEMBL9769995

SCHEMBL9769995

C=C(C)C(=O)OC.C=C(C)C(=O)OC(CCCCC)Oc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MAOB P27338 2/20 0.41
MGLL Q99685 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 1/20 0.39
MAPT P10636 5/20 0.39
PTGS1 P23219 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
APEX1 P27695 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL9769996 0.82 PTGS2 (0.50) PTGS2MAOBMEN1KMT2ANPC1
SCHEMBL9283142 0.75 PTGS2 (0.49) PTGS2MAOBMEN1KMT2ANPC1
SCHEMBL11967011 0.75 L3MBTL1 (0.41) TP53LMNARAB9ANPSR1MAPT
SCHEMBL9655691 0.74 PTGS2 (0.46) PTGS2MAOBMEN1KMT2ANPC1
SCHEMBL9480426 0.74 PTGS2 (0.57) PTGS2KDM4ETP53MAOBMEN1
SCHEMBL9480422 0.74 PTGS2 (0.57) PTGS2KDM4ETP53MAOBMEN1
SCHEMBL10598448 0.74 MGLL (0.52) PTGS2MGLLMEN1KMT2ANPC1
SCHEMBL11967010 0.74 GAA (0.42) TP53LMNARAB9ANPSR1MAPT
SCHEMBL11967008 0.74 GAA (0.42) TP53LMNARAB9ANPSR1MAPT
SCHEMBL28678913 0.74 POLB (0.48) TP53KMT2AAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5044725-A Polymeric thin film waveguide media HOECHST CELANESE CORP. (US) 1991-09-03 US disclosed
US-5002361-A Polymeric thin film waveguide media HOECHST CELANESE CORP. (US) 1991-03-26 US disclosed
US-4971416-A Polymeric waveguide device for phase matched second harmonic generation HOECHST CELANESE CORP. (US) 1990-11-20 US disclosed
EP-0368042-A2 Frequency doubling polymeric waveguide HOECHST CELANESE CORPORATION (US) 1990-05-16 EP disclosed
US-4865406-A SUPPORTED POLYMERIC THIN FILM EXHIBITING SECOND ORDER NONLINEA R OPTICAL RESPONSE HOECHST CELANESE CORP. (US) 1989-09-12 US disclosed